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

C7H13NO — CID 11137176

IUPAC[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol
SMILESNC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H13NO/c8-4-6-1-2-7(3-6)5-9/h1-2,6-7,9H,3-5,8H2/t6-,7+/m0/s1
InChIKeyYKSBLVWOPVTGFT-NKWVEPMBSA-N
MW127.19 g/mol
LogP0.13
Rot. Bonds2

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

[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 11137176) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol
PubChem CID11137176
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol
SMILESNC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H13NO/c8-4-6-1-2-7(3-6)5-9/h1-2,6-7,9H,3-5,8H2/t6-,7+/m0/s1
InChIKeyYKSBLVWOPVTGFT-NKWVEPMBSA-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 [(1S,4R)-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 [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol (CID 11137176) is [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol is NC[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is YKSBLVWOPVTGFT-NKWVEPMBSA-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/t6-,7+/m0/s1.
What are the key properties of [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol?
[(1S,4R)-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 [(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 11137176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).