[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone

C12H13ClN2O — CID 98815728

IUPAC[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
SMILESN[C@@]12C[C@H]1CN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-2-8(4-10)11(16)15-6-9-5-12(9,14)7-15/h1-4,9H,5-7,14H2/t9-,12+/m0/s1
InChIKeyDCBIGQXRIMBFOX-JOYOIKCWSA-N
MW236.70 g/mol
LogP1.51
Rot. Bonds1

About [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone

[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone (PubChem CID 98815728) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
PubChem CID98815728
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone
SMILESN[C@@]12C[C@H]1CN(C(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-2-8(4-10)11(16)15-6-9-5-12(9,14)7-15/h1-4,9H,5-7,14H2/t9-,12+/m0/s1
InChIKeyDCBIGQXRIMBFOX-JOYOIKCWSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 172890641
(3aS,7aS)-2-(3-chlorobenzoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627301
(3aR,6aR)-5-(3-chlorobenzoyl)-2-cyclopentyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133120155
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
CID 115269961
(3aS,6aS)-5-(3-chlorobenzoyl)-2-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 164639833
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
ethyl 1-(3-chlorobenzoyl)-3-(chloromethyl)azetidine-3-carboxylate
CID 59842449

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone (CID 98815728) is [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone is N[C@@]12C[C@H]1CN(C(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone?
The InChIKey is DCBIGQXRIMBFOX-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-3-1-2-8(4-10)11(16)15-6-9-5-12(9,14)7-15/h1-4,9H,5-7,14H2/t9-,12+/m0/s1.
What are the key properties of [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone?
[(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone has a molecular weight of 236.70 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 98815728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).