3-(benzylamino)cyclopentan-1-one

C12H15NO — CID 59118330

IUPAC3-(benzylamino)cyclopentan-1-one
SMILESO=C1CCC(NCc2ccccc2)C1
InChIInChI=1S/C12H15NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyZMRSJKHZGZKPQG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.90
Rot. Bonds3

About 3-(benzylamino)cyclopentan-1-one

3-(benzylamino)cyclopentan-1-one (PubChem CID 59118330) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(benzylamino)cyclopentan-1-one.

Molecular Properties

Compound Name3-(benzylamino)cyclopentan-1-one
PubChem CID59118330
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(benzylamino)cyclopentan-1-one
SMILESO=C1CCC(NCc2ccccc2)C1
InChIInChI=1S/C12H15NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyZMRSJKHZGZKPQG-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-anilinocyclopentan-1-one
CID 18436296
benzene;N-benzylcyclohexanamine
CID 142622843
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
7-(benzylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 59987037
N-benzyl-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15871447
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982
5-(2-phenylethylamino)piperidin-2-one
CID 63661902
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)cyclopentan-1-one?
The IUPAC name of 3-(benzylamino)cyclopentan-1-one (CID 59118330) is 3-(benzylamino)cyclopentan-1-one.
What is the SMILES notation for 3-(benzylamino)cyclopentan-1-one?
The canonical SMILES for 3-(benzylamino)cyclopentan-1-one is O=C1CCC(NCc2ccccc2)C1.
What is the InChIKey of 3-(benzylamino)cyclopentan-1-one?
The InChIKey is ZMRSJKHZGZKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-7-6-11(8-12)13-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 3-(benzylamino)cyclopentan-1-one?
3-(benzylamino)cyclopentan-1-one has a molecular weight of 189.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)cyclopentan-1-one is sourced from PubChem (CID 59118330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).