RU 24969

CAT: 0926-RCA61126-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RCA61126-01Size:50 mg

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CAS Number

66611-26-5

MDL Number

MFCD09864704

Smiles

COC1=CC2=C (C=C1) NC=C2C3=CCNCC3

Molecular Formula

C14H16N2O

Molecular Weight

228.29 g/mol

Controlled

Chemical Information

5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole

5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is a member of indoles.

CAS Number	66611-26-5
PubChem CID	108029
IUPAC Name	5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular Formula	C14H16N2O
Molecular Weight	228.29
XLogP	1.8
Topological Polar Surface Area	37.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	303

SMILES

COC1=CC2=C(C=C1)NC=C2C3=CCNCC3

InChI

InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3

InChIKey

KRVMLPUDAOWOGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66611-26-5

CID: 108029

Formula: C14H16N2O

MW: 228.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.29
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	228.126263138
Monoisotopic Mass	228.126263138
Topological Polar Surface Area	37.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	303
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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