1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

C15H20N2O2 — CID 111631440

IUPAC1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C15H20N2O2/c1-10-3-4-11(2)14(7-10)17-15(19)16-13-6-5-12(8-13)9-18/h3-7,12-13,18H,8-9H2,1-2H3,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyYLLILJYAOBWMPV-QWHCGFSZSA-N
MW260.34 g/mol
LogP2.36
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea

1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (PubChem CID 111631440) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
PubChem CID111631440
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C15H20N2O2/c1-10-3-4-11(2)14(7-10)17-15(19)16-13-6-5-12(8-13)9-18/h3-7,12-13,18H,8-9H2,1-2H3,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyYLLILJYAOBWMPV-QWHCGFSZSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 111631319
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111637054
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630761
1-(5-bromo-4-fluoro-2-methylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 99831977
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-naphthalen-2-ylurea
CID 111631436
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 111661460
1-(4-bromo-3-methoxyphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111637055
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(2-methylphenyl)ethyl]urea
CID 111630257
N-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 10130076
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea (CID 111631440) is 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is Cc1ccc(C)c(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
The InChIKey is YLLILJYAOBWMPV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-3-4-11(2)14(7-10)17-15(19)16-13-6-5-12(8-13)9-18/h3-7,12-13,18H,8-9H2,1-2H3,(H2,16,17,19)/t12-,13+/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea?
1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea has a molecular weight of 260.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea is sourced from PubChem (CID 111631440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).