2-(cyclopent-2-en-1-ylamino)ethanol

C7H13NO — CID 13474795

IUPAC2-(cyclopent-2-en-1-ylamino)ethanol
SMILESOCCNC1C=CCC1
InChIInChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h1,3,7-9H,2,4-6H2
InChIKeyPPYIWFREQPAQQL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds3

About 2-(cyclopent-2-en-1-ylamino)ethanol

2-(cyclopent-2-en-1-ylamino)ethanol (PubChem CID 13474795) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(cyclopent-2-en-1-ylamino)ethanol.

Molecular Properties

Compound Name2-(cyclopent-2-en-1-ylamino)ethanol
PubChem CID13474795
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(cyclopent-2-en-1-ylamino)ethanol
SMILESOCCNC1C=CCC1
InChIInChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h1,3,7-9H,2,4-6H2
InChIKeyPPYIWFREQPAQQL-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
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 2-(cyclopent-2-en-1-ylamino)ethanol?
The IUPAC name of 2-(cyclopent-2-en-1-ylamino)ethanol (CID 13474795) is 2-(cyclopent-2-en-1-ylamino)ethanol.
What is the SMILES notation for 2-(cyclopent-2-en-1-ylamino)ethanol?
The canonical SMILES for 2-(cyclopent-2-en-1-ylamino)ethanol is OCCNC1C=CCC1.
What is the InChIKey of 2-(cyclopent-2-en-1-ylamino)ethanol?
The InChIKey is PPYIWFREQPAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-5-8-7-3-1-2-4-7/h1,3,7-9H,2,4-6H2.
What are the key properties of 2-(cyclopent-2-en-1-ylamino)ethanol?
2-(cyclopent-2-en-1-ylamino)ethanol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-2-en-1-ylamino)ethanol is sourced from PubChem (CID 13474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).