[4-(aminomethyl)cyclopent-2-en-1-yl]methanol

C7H13NO — CID 85412251

IUPAC[4-(aminomethyl)cyclopent-2-en-1-yl]methanol
SMILESNCC1C=CC(CO)C1
InChIInChI=1S/C7H13NO/c8-4-6-1-2-7(3-6)5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyYKSBLVWOPVTGFT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.13
Rot. Bonds2

About [4-(aminomethyl)cyclopent-2-en-1-yl]methanol

[4-(aminomethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 85412251) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [4-(aminomethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)cyclopent-2-en-1-yl]methanol
PubChem CID85412251
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[4-(aminomethyl)cyclopent-2-en-1-yl]methanol
SMILESNCC1C=CC(CO)C1
InChIInChI=1S/C7H13NO/c8-4-6-1-2-7(3-6)5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyYKSBLVWOPVTGFT-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(aminomethyl)cyclopent-2-en-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-(aminomethyl)cyclopent-2-en-1-yl]methanol (CID 85412251) is [4-(aminomethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-(aminomethyl)cyclopent-2-en-1-yl]methanol is NCC1C=CC(CO)C1.
What is the InChIKey of [4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is YKSBLVWOPVTGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c8-4-6-1-2-7(3-6)5-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of [4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
[4-(aminomethyl)cyclopent-2-en-1-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 85412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).