5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one

C11H20N2O — CID 20590077

IUPAC5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one
SMILESCCCN1CC2CC2CC(NC)C1=O
InChIInChI=1S/C11H20N2O/c1-3-4-13-7-9-5-8(9)6-10(12-2)11(13)14/h8-10,12H,3-7H2,1-2H3
InChIKeyULXJFDORBNRBGF-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds3

About 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one

5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 20590077) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one
PubChem CID20590077
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one
SMILESCCCN1CC2CC2CC(NC)C1=O
InChIInChI=1S/C11H20N2O/c1-3-4-13-7-9-5-8(9)6-10(12-2)11(13)14/h8-10,12H,3-7H2,1-2H3
InChIKeyULXJFDORBNRBGF-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
3-[(3-Methylcyclohexyl)amino]-2-azepanone
CID 2846276
Caprolactin A
CID 21773705
N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
CID 110196292
N-(cyclohexylmethyl)-7-oxoazepane-2-carboxamide
CID 110196329
(2S)-5-(4-fluorobutyl)-N-methylazepane-2-carboxamide
CID 58932188
(4S)-4-amino-8,8-difluoro-2-azabicyclo[5.1.0]octan-3-one
CID 124178549
(4S)-4-amino-8,8-difluoro-2-methyl-2-azabicyclo[5.1.0]octan-3-one
CID 140764621
N-(2-oxo-1-pentylazepan-3-yl)cyclohexanecarboxamide
CID 56643353
7-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728676
6-methyl-N-(2-oxoazepan-3-yl)octanamide
CID 21728677
Caprolactin B
CID 21773704

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one (CID 20590077) is 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one is CCCN1CC2CC2CC(NC)C1=O.
What is the InChIKey of 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is ULXJFDORBNRBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-13-7-9-5-8(9)6-10(12-2)11(13)14/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-propyl-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 20590077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).