acetic acid;4-aminocyclopent-2-en-1-ol

C7H13NO3 — CID 70584615

IUPACacetic acid;4-aminocyclopent-2-en-1-ol
SMILESCC(=O)O.NC1C=CC(O)C1
InChIInChI=1S/C5H9NO.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-5,7H,3,6H2;1H3,(H,3,4)
InChIKeyDGKXFJMGQPBGTI-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.27
Rot. Bonds

About acetic acid;4-aminocyclopent-2-en-1-ol

acetic acid;4-aminocyclopent-2-en-1-ol (PubChem CID 70584615) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is acetic acid;4-aminocyclopent-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;4-aminocyclopent-2-en-1-ol
PubChem CID70584615
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameacetic acid;4-aminocyclopent-2-en-1-ol
SMILESCC(=O)O.NC1C=CC(O)C1
InChIInChI=1S/C5H9NO.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-5,7H,3,6H2;1H3,(H,3,4)
InChIKeyDGKXFJMGQPBGTI-UHFFFAOYSA-N
XLogP-0.27
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 acetic acid;4-aminocyclopent-2-en-1-ol?
The IUPAC name of acetic acid;4-aminocyclopent-2-en-1-ol (CID 70584615) is acetic acid;4-aminocyclopent-2-en-1-ol.
What is the SMILES notation for acetic acid;4-aminocyclopent-2-en-1-ol?
The canonical SMILES for acetic acid;4-aminocyclopent-2-en-1-ol is CC(=O)O.NC1C=CC(O)C1.
What is the InChIKey of acetic acid;4-aminocyclopent-2-en-1-ol?
The InChIKey is DGKXFJMGQPBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H4O2/c6-4-1-2-5(7)3-4;1-2(3)4/h1-2,4-5,7H,3,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;4-aminocyclopent-2-en-1-ol?
acetic acid;4-aminocyclopent-2-en-1-ol has a molecular weight of 159.19 g/mol, XLogP of -0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-aminocyclopent-2-en-1-ol is sourced from PubChem (CID 70584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).