1-(2-aminoethyl)cyclopent-2-en-1-ol

C7H13NO — CID 159089346

IUPAC1-(2-aminoethyl)cyclopent-2-en-1-ol
SMILESNCCC1(O)C=CCC1
InChIInChI=1S/C7H13NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-6,8H2
InChIKeyGVJCRFDGGRSUJR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.42
Rot. Bonds2

About 1-(2-aminoethyl)cyclopent-2-en-1-ol

1-(2-aminoethyl)cyclopent-2-en-1-ol (PubChem CID 159089346) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)cyclopent-2-en-1-ol
PubChem CID159089346
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(2-aminoethyl)cyclopent-2-en-1-ol
SMILESNCCC1(O)C=CCC1
InChIInChI=1S/C7H13NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-6,8H2
InChIKeyGVJCRFDGGRSUJR-UHFFFAOYSA-N
XLogP0.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.42
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 1-(2-aminoethyl)cyclopent-2-en-1-ol?
The IUPAC name of 1-(2-aminoethyl)cyclopent-2-en-1-ol (CID 159089346) is 1-(2-aminoethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1-(2-aminoethyl)cyclopent-2-en-1-ol is NCCC1(O)C=CCC1.
What is the InChIKey of 1-(2-aminoethyl)cyclopent-2-en-1-ol?
The InChIKey is GVJCRFDGGRSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-5-7(9)3-1-2-4-7/h1,3,9H,2,4-6,8H2.
What are the key properties of 1-(2-aminoethyl)cyclopent-2-en-1-ol?
1-(2-aminoethyl)cyclopent-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 159089346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).