(1S,4S)-4-aminocyclopent-2-en-1-ol

C5H9NO — CID 162402352

IUPAC(1S,4S)-4-aminocyclopent-2-en-1-ol
SMILESN[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h1-2,4-5,7H,3,6H2/t4-,5-/m1/s1
InChIKeyNPHHAQOEPZJMNE-RFZPGFLSSA-N
MW99.13 g/mol
LogP-0.37
Rot. Bonds

About (1S,4S)-4-aminocyclopent-2-en-1-ol

(1S,4S)-4-aminocyclopent-2-en-1-ol (PubChem CID 162402352) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1S,4S)-4-aminocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-aminocyclopent-2-en-1-ol
PubChem CID162402352
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1S,4S)-4-aminocyclopent-2-en-1-ol
SMILESN[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h1-2,4-5,7H,3,6H2/t4-,5-/m1/s1
InChIKeyNPHHAQOEPZJMNE-RFZPGFLSSA-N
XLogP-0.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.37
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 (1S,4S)-4-aminocyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-aminocyclopent-2-en-1-ol (CID 162402352) is (1S,4S)-4-aminocyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-aminocyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-aminocyclopent-2-en-1-ol is N[C@@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4S)-4-aminocyclopent-2-en-1-ol?
The InChIKey is NPHHAQOEPZJMNE-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h1-2,4-5,7H,3,6H2/t4-,5-/m1/s1.
What are the key properties of (1S,4S)-4-aminocyclopent-2-en-1-ol?
(1S,4S)-4-aminocyclopent-2-en-1-ol has a molecular weight of 99.13 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-aminocyclopent-2-en-1-ol is sourced from PubChem (CID 162402352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).