3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea

C12H20N2O — CID 99823111

IUPAC3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC[C@H]1CC=CCC1
InChIInChI=1S/C12H20N2O/c1-3-9-14(2)12(15)13-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H,13,15)/t11-/m0/s1
InChIKeyGYQXWBYAEPMGRO-NSHDSACASA-N
MW208.30 g/mol
LogP2.17
Rot. Bonds4

About 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea

3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea (PubChem CID 99823111) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
PubChem CID99823111
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC[C@H]1CC=CCC1
InChIInChI=1S/C12H20N2O/c1-3-9-14(2)12(15)13-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H,13,15)/t11-/m0/s1
InChIKeyGYQXWBYAEPMGRO-NSHDSACASA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea with MolForge

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Related Compounds

1-methyl-1-[(2E)-2-(2-methylpropylidene)cyclohexyl]-3-propan-2-ylurea
CID 5310788
1-Isobutyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10833278
Urea, N-2-propenyl-N'-(2-propylpentyl)-
CID 218538
Urea, 1,1-dimethyl-3-(5-norbornen-2-ylmethyl)-
CID 24847532
N-bicyclo[2.2.1]hept-5-en-2-yl-N'-butyl-N-methylurea
CID 2805498
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
1-Carbamoyl-3-[(4-fluorocyclohex-2-en-1-yl)methyl]-1-propylurea
CID 89639789
1-ethyl-3-[(2R)-2-(4-fluorocyclohex-3-en-1-yl)propyl]-1-methylurea
CID 164125241
4-ethyl-N-(4-fluoro-5-methylcyclohex-2-en-1-yl)piperazine-1-carboxamide
CID 170057597
3-(Cyclohexen-1-ylmethyl)-1,1-dimethylurea
CID 15112131
1,1-Dimethyl-3-(1-propylcyclohex-2-en-1-yl)urea
CID 134989408
1-(Cyclohex-3-en-1-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115595052

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea (CID 99823111) is 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)NC[C@H]1CC=CCC1.
What is the InChIKey of 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea?
The InChIKey is GYQXWBYAEPMGRO-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-9-14(2)12(15)13-10-11-7-5-4-6-8-11/h3-5,11H,1,6-10H2,2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea?
3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea has a molecular weight of 208.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 99823111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).