3-cyclohexyl-1,1-bis(prop-2-enyl)urea

C13H22N2O — CID 853663

IUPAC3-cyclohexyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,14,16)
InChIKeyXPIAAFPDZJIJKC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds5

About 3-cyclohexyl-1,1-bis(prop-2-enyl)urea

3-cyclohexyl-1,1-bis(prop-2-enyl)urea (PubChem CID 853663) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-bis(prop-2-enyl)urea
PubChem CID853663
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-cyclohexyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,14,16)
InChIKeyXPIAAFPDZJIJKC-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Urea, 1-allyl-3-(4-heptyl)-
CID 218527
N-cyclopentyl-4-(prop-2-en-1-yl)piperazine-1-carboxamide
CID 17174410
3-(2-Chloroethyl)-1-cyclohexyl-1-prop-2-enylurea
CID 44315783
1-[(1S)-3,3-difluorocyclohexyl]-3-prop-2-enylurea
CID 164637432
3,3'-Hexamethylenebis(1,1-diallylurea)
CID 4523525
N-allyl-N'-cyclohexylurea
CID 5062476
N-allyl-N,N'-dicyclohexylurea
CID 134811561
1-(4,4-Difluorocyclohexyl)-3-prop-2-enylurea
CID 126767857
1-(3,3-Difluorocyclohexyl)-3-prop-2-enylurea
CID 126772616
3-[(1R,2R)-2-fluorocyclohexyl]-1-methyl-1-prop-2-enylurea
CID 126790716
N-cyclohexyl-N-prop-2-enylpyrrolidine-1-carboxamide
CID 13146385
N-prop-2-enylpiperidine-1-carboxamide
CID 15981520

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-cyclohexyl-1,1-bis(prop-2-enyl)urea (CID 853663) is 3-cyclohexyl-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-cyclohexyl-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-cyclohexyl-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-bis(prop-2-enyl)urea?
The InChIKey is XPIAAFPDZJIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,14,16).
What are the key properties of 3-cyclohexyl-1,1-bis(prop-2-enyl)urea?
3-cyclohexyl-1,1-bis(prop-2-enyl)urea has a molecular weight of 222.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 853663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).