Piperolactam C

CAT: 0926-REA06476-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-REA06476-02Size:10 mg

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CAS Number

116064-76-7

MDL Number

MFCD23103586

Smiles

COC1=C (C (=C2C3=C1C4=CC=CC=C4C=C3NC2=O) OC) OC

Molecular Formula

C18H15NO4

Molecular Weight

309.3 g/mol

Controlled

Chemical Information

1,2,3-Trimethoxydibenz(cd,f)indol-4(5H)-one

Piperolactam C is an alkaloid.

CAS Number	116064-76-7
PubChem CID	10881419
IUPAC Name	13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Molecular Formula	C18H15NO4
Molecular Weight	309.3
XLogP	3.2
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	470

SMILES

COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC

InChI

InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20)

InChIKey

GYYIMUXZCUHECT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116064-76-7

CID: 10881419

Formula: C18H15NO4

MW: 309.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.3
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	309.10010796
Monoisotopic Mass	309.10010796
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	470
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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