1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea

C12H22N2O — CID 108910912

IUPAC1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)8-9-13-12(15)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15)/b9-8+
InChIKeyRDKRWLBXQQZLEL-CMDGGOBGSA-N
MW210.32 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea

1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108910912) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108910912
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea
SMILESCC(C)/C=C/NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)8-9-13-12(15)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15)/b9-8+
InChIKeyRDKRWLBXQQZLEL-CMDGGOBGSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[(E)-2-cyclopropylethenyl]urea
CID 108915717
1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea
CID 108911669
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
1-cyclododecyl-3-(cyclohexylidenemethyl)urea
CID 108912488
1-cyclododecyl-3-(cyclopentylidenemethyl)urea
CID 108913552
N-cyclohexyl-2-silylpropanamide
CID 123581134
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea (CID 108910912) is 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea is CC(C)/C=C/NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is RDKRWLBXQQZLEL-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)8-9-13-12(15)14-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,13,14,15)/b9-8+.
What are the key properties of 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea?
1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 210.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108910912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).