1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea

C14H22N2O — CID 142073549

IUPAC1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea
SMILESCC1=CC=C(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H22N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyIOCILFMTWAWEST-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.24
Rot. Bonds2

About 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea

1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea (PubChem CID 142073549) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea
PubChem CID142073549
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea
SMILESCC1=CC=C(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H22N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyIOCILFMTWAWEST-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea (CID 142073549) is 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea is CC1=CC=C(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea?
The InChIKey is IOCILFMTWAWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea?
1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea has a molecular weight of 234.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylcyclohexa-1,3-dien-1-yl)urea is sourced from PubChem (CID 142073549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).