1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea

C15H20N2O2 — CID 126852023

IUPAC1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2(O)C=CCCC2)c1
InChIInChI=1S/C15H20N2O2/c1-12-6-5-7-13(10-12)17-14(18)16-11-15(19)8-3-2-4-9-15/h3,5-8,10,19H,2,4,9,11H2,1H3,(H2,16,17,18)
InChIKeyCHFVQUYZWGCRRQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds3

About 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea

1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea (PubChem CID 126852023) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea
PubChem CID126852023
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC2(O)C=CCCC2)c1
InChIInChI=1S/C15H20N2O2/c1-12-6-5-7-13(10-12)17-14(18)16-11-15(19)8-3-2-4-9-15/h3,5-8,10,19H,2,4,9,11H2,1H3,(H2,16,17,18)
InChIKeyCHFVQUYZWGCRRQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-thiophen-2-ylurea
CID 126852021
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea (CID 126852023) is 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC2(O)C=CCCC2)c1.
What is the InChIKey of 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is CHFVQUYZWGCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-6-5-7-13(10-12)17-14(18)16-11-15(19)8-3-2-4-9-15/h3,5-8,10,19H,2,4,9,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea?
1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 260.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 126852023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).