[1,4]Diazepan-5-one

CAT: 0024-sc-265090Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-265090Size:1 g

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CAS Number

34376-54-0

Chemical Information

1,4-Diazepan-5-one

CAS Number	34376-54-0
PubChem CID	2737264
IUPAC Name	1,4-diazepan-5-one
Molecular Formula	C5H10N2O
Molecular Weight	114.15
XLogP	-1.2
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	92

SMILES

C1CNCCNC1=O

InChI

InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)

InChIKey

QPPLBCQXWDBQFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34376-54-0

CID: 2737264

Formula: C5H10N2O

MW: 114.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.15
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.079312947
Monoisotopic Mass	114.079312947
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.4
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

Catalog	Name
411297-01	1,4-Diazepan-5-one Hydrochloride
OR1003753-01	4-Methyl-1,4-diazepan-5-one
abx180157-01	1-Benzyl-1,4-diazepan-5-one
OR1037788-01	1-Cbz-[1,4]Diazepan-5-one
TDC57205-01	1-Acetyl-1,4-diazepan-5-one
FBA85870-01	1-Cyclopropyl-1,4-diazepan-5-one
QDA67337-01	7-Methyl-1,4-diazepan-5-one
PDA04479-01	7-Phenyl-1,4-diazepan-5-one
190900-21-1-01	N-Boc-1,4-diazepan-5-one
OR1057440-01	4-Methyl-1,4-diazepan-5-one hydrochloride