[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C7H12N2O2 — CID 15699122

IUPAC[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESNC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H12N2O2/c8-7(11)9-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2,(H3,8,9,11)/t5-,6+/m1/s1
InChIKeyYAOPJHBVBVGXJP-RITPCOANSA-N
MW156.18 g/mol
LogP-0.41
Rot. Bonds2

About [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 15699122) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID15699122
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESNC(=O)N[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H12N2O2/c8-7(11)9-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2,(H3,8,9,11)/t5-,6+/m1/s1
InChIKeyYAOPJHBVBVGXJP-RITPCOANSA-N
XLogP-0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea 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 [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 15699122) is [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is NC(=O)N[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is YAOPJHBVBVGXJP-RITPCOANSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-7(11)9-6-2-1-5(3-6)4-10/h1-2,5-6,10H,3-4H2,(H3,8,9,11)/t5-,6+/m1/s1.
What are the key properties of [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 156.18 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 15699122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).