[(4S)-4-aminocyclopent-2-en-1-yl]methanol

C6H11NO — CID 21107962

IUPAC[(4S)-4-aminocyclopent-2-en-1-yl]methanol
SMILESN[C@@H]1C=CC(CO)C1
InChIInChI=1S/C6H11NO/c7-6-2-1-5(3-6)4-8/h1-2,5-6,8H,3-4,7H2/t5?,6-/m1/s1
InChIKeyUXKZFJDNFBNQHE-PRJDIBJQSA-N
MW113.16 g/mol
LogP-0.12
Rot. Bonds1

About [(4S)-4-aminocyclopent-2-en-1-yl]methanol

[(4S)-4-aminocyclopent-2-en-1-yl]methanol (PubChem CID 21107962) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is [(4S)-4-aminocyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-aminocyclopent-2-en-1-yl]methanol
PubChem CID21107962
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name[(4S)-4-aminocyclopent-2-en-1-yl]methanol
SMILESN[C@@H]1C=CC(CO)C1
InChIInChI=1S/C6H11NO/c7-6-2-1-5(3-6)4-8/h1-2,5-6,8H,3-4,7H2/t5?,6-/m1/s1
InChIKeyUXKZFJDNFBNQHE-PRJDIBJQSA-N
XLogP-0.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-aminocyclopent-2-en-1-yl]methanol?
The IUPAC name of [(4S)-4-aminocyclopent-2-en-1-yl]methanol (CID 21107962) is [(4S)-4-aminocyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(4S)-4-aminocyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(4S)-4-aminocyclopent-2-en-1-yl]methanol is N[C@@H]1C=CC(CO)C1.
What is the InChIKey of [(4S)-4-aminocyclopent-2-en-1-yl]methanol?
The InChIKey is UXKZFJDNFBNQHE-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H11NO/c7-6-2-1-5(3-6)4-8/h1-2,5-6,8H,3-4,7H2/t5?,6-/m1/s1.
What are the key properties of [(4S)-4-aminocyclopent-2-en-1-yl]methanol?
[(4S)-4-aminocyclopent-2-en-1-yl]methanol has a molecular weight of 113.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-aminocyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 21107962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).