(3S)-3-aminocyclopentan-1-one

C5H9NO — CID 86332554

IUPAC(3S)-3-aminocyclopentan-1-one
SMILESN[C@H]1CCC(=O)C1
InChIInChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h4H,1-3,6H2/t4-/m0/s1
InChIKeyLARUMXKMTDSSSX-BYPYZUCNSA-N
MW99.13 g/mol
LogP0.07
Rot. Bonds

About (3S)-3-aminocyclopentan-1-one

(3S)-3-aminocyclopentan-1-one (PubChem CID 86332554) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (3S)-3-aminocyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-aminocyclopentan-1-one
PubChem CID86332554
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(3S)-3-aminocyclopentan-1-one
SMILESN[C@H]1CCC(=O)C1
InChIInChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h4H,1-3,6H2/t4-/m0/s1
InChIKeyLARUMXKMTDSSSX-BYPYZUCNSA-N
XLogP0.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminocyclopentan-1-one?
The IUPAC name of (3S)-3-aminocyclopentan-1-one (CID 86332554) is (3S)-3-aminocyclopentan-1-one.
What is the SMILES notation for (3S)-3-aminocyclopentan-1-one?
The canonical SMILES for (3S)-3-aminocyclopentan-1-one is N[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-aminocyclopentan-1-one?
The InChIKey is LARUMXKMTDSSSX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h4H,1-3,6H2/t4-/m0/s1.
What are the key properties of (3S)-3-aminocyclopentan-1-one?
(3S)-3-aminocyclopentan-1-one has a molecular weight of 99.13 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminocyclopentan-1-one is sourced from PubChem (CID 86332554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).