7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one

C14H23N3O2 — CID 154760829

IUPAC7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one
SMILESCN(C)C1[C@H]2CN(C(=O)C3CCCCC(=O)N3)C[C@@H]12
InChIInChI=1S/C14H23N3O2/c1-16(2)13-9-7-17(8-10(9)13)14(19)11-5-3-4-6-12(18)15-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t9-,10+,11?,13?
InChIKeyZXUIWBTWDVYGGT-UYVFGJEYSA-N
MW265.36 g/mol
LogP0.06
Rot. Bonds2

About 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one

7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one (PubChem CID 154760829) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one.

Molecular Properties

Compound Name7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one
PubChem CID154760829
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one
SMILESCN(C)C1[C@H]2CN(C(=O)C3CCCCC(=O)N3)C[C@@H]12
InChIInChI=1S/C14H23N3O2/c1-16(2)13-9-7-17(8-10(9)13)14(19)11-5-3-4-6-12(18)15-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t9-,10+,11?,13?
InChIKeyZXUIWBTWDVYGGT-UYVFGJEYSA-N
XLogP0.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one with MolForge

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Related Compounds

(5R)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 103782617
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
7-(2,3,4,5,6-pentafluorobenzoyl)azepan-2-one
CID 23202472
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
(5R)-5-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 103806957
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
5-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-one
CID 43556218
7-[1-(7-oxoazepane-2-carbonyl)cyclohexanecarbonyl]azepan-2-one
CID 140687627
(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 113265200
(7S)-7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1-carbonyl]azepan-2-one
CID 129402907

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one?
The IUPAC name of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one (CID 154760829) is 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one.
What is the SMILES notation for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one?
The canonical SMILES for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one is CN(C)C1[C@H]2CN(C(=O)C3CCCCC(=O)N3)C[C@@H]12.
What is the InChIKey of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one?
The InChIKey is ZXUIWBTWDVYGGT-UYVFGJEYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)13-9-7-17(8-10(9)13)14(19)11-5-3-4-6-12(18)15-11/h9-11,13H,3-8H2,1-2H3,(H,15,18)/t9-,10+,11?,13?.
What are the key properties of 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one?
7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexane-3-carbonyl]azepan-2-one is sourced from PubChem (CID 154760829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).