1-[(1S,2R)-2-aminocyclopentyl]butan-1-one

C9H17NO — CID 178190862

IUPAC1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
SMILESCCCC(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C9H17NO/c1-2-4-9(11)7-5-3-6-8(7)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyZNDDPKYDKJQBHV-JGVFFNPUSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds3

About 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one

1-[(1S,2R)-2-aminocyclopentyl]butan-1-one (PubChem CID 178190862) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
PubChem CID178190862
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
SMILESCCCC(=O)[C@H]1CCC[C@H]1N
InChIInChI=1S/C9H17NO/c1-2-4-9(11)7-5-3-6-8(7)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyZNDDPKYDKJQBHV-JGVFFNPUSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-aminocyclopentyl)octan-1-one
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1-(2-aminocyclopentyl)-2-cyclopentylethanone
CID 116580222
1-[(1S,2R)-2-aminocyclopentyl]but-3-en-1-one
CID 165464901
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
1-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylpropan-1-one
CID 106736580
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
cis-(2,3,4,5,6-pentafluorophenyl) (1R,2S)-2-aminocyclopentane-1-carboxylate
CID 87764987
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one?
The IUPAC name of 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one (CID 178190862) is 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one?
The canonical SMILES for 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one is CCCC(=O)[C@H]1CCC[C@H]1N.
What is the InChIKey of 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one?
The InChIKey is ZNDDPKYDKJQBHV-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-9(11)7-5-3-6-8(7)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one?
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-aminocyclopentyl]butan-1-one is sourced from PubChem (CID 178190862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).