1-[(1R,3S)-3-aminocyclopentyl]ethanone

C7H13NO — CID 59688992

IUPAC1-[(1R,3S)-3-aminocyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7H,2-4,8H2,1H3/t6-,7+/m1/s1
InChIKeyIJWAIBWJVAHTLY-RQJHMYQMSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds1

About 1-[(1R,3S)-3-aminocyclopentyl]ethanone

1-[(1R,3S)-3-aminocyclopentyl]ethanone (PubChem CID 59688992) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(1R,3S)-3-aminocyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3S)-3-aminocyclopentyl]ethanone
PubChem CID59688992
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-[(1R,3S)-3-aminocyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7H,2-4,8H2,1H3/t6-,7+/m1/s1
InChIKeyIJWAIBWJVAHTLY-RQJHMYQMSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
1-(4-aminocyclohexyl)ethanone;hydrochloride
CID 66728623
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
1-(3-aminocyclopentyl)butan-1-one
CID 116587099
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119
3-aminocyclopentane-1-carbohydrazide
CID 66010273
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
(3-aminocyclopentyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579695
4-acetylcyclohexane-1-carbonyl chloride
CID 118944130
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-aminocyclopentyl]ethanone?
The IUPAC name of 1-[(1R,3S)-3-aminocyclopentyl]ethanone (CID 59688992) is 1-[(1R,3S)-3-aminocyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,3S)-3-aminocyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,3S)-3-aminocyclopentyl]ethanone is CC(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of 1-[(1R,3S)-3-aminocyclopentyl]ethanone?
The InChIKey is IJWAIBWJVAHTLY-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(9)6-2-3-7(8)4-6/h6-7H,2-4,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-aminocyclopentyl]ethanone?
1-[(1R,3S)-3-aminocyclopentyl]ethanone has a molecular weight of 127.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-aminocyclopentyl]ethanone is sourced from PubChem (CID 59688992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).