1-methoxy-3-(4-methylidenecyclohexyl)urea

C9H16N2O2 — CID 91252430

IUPAC1-methoxy-3-(4-methylidenecyclohexyl)urea
SMILESC=C1CCC(NC(=O)NOC)CC1
InChIInChI=1S/C9H16N2O2/c1-7-3-5-8(6-4-7)10-9(12)11-13-2/h8H,1,3-6H2,2H3,(H2,10,11,12)
InChIKeyWXWQUQJSGVYBCW-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.35
Rot. Bonds2

About 1-methoxy-3-(4-methylidenecyclohexyl)urea

1-methoxy-3-(4-methylidenecyclohexyl)urea (PubChem CID 91252430) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylidenecyclohexyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(4-methylidenecyclohexyl)urea
PubChem CID91252430
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methoxy-3-(4-methylidenecyclohexyl)urea
SMILESC=C1CCC(NC(=O)NOC)CC1
InChIInChI=1S/C9H16N2O2/c1-7-3-5-8(6-4-7)10-9(12)11-13-2/h8H,1,3-6H2,2H3,(H2,10,11,12)
InChIKeyWXWQUQJSGVYBCW-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-(6-methylhept-5-en-2-yl)urea
CID 2871893
1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea
CID 89159302
1-methyl-3-[(1S)-2-methylidenecyclohexyl]urea
CID 89303403
1-Cyclohexyl-3-(3-methylidenecyclohexyl)urea
CID 89359891
1-Ethyl-3-(4-methylidenecyclohexyl)urea
CID 90782168
1-Methyl-3-(3-methylidenecyclohexyl)urea
CID 90787997
(3-Methylidenecyclohexyl)urea
CID 90836636
(4-Methylidenecyclohexyl)urea
CID 91200227
5-Methylhex-5-enylurea
CID 145315541
1-[(1R)-3-methylidenecyclohexyl]-3-(2-methylpropyl)urea
CID 174355641
1-cyclohexyl-3-[(2S)-6-methylhept-5-en-2-yl]urea
CID 2336217
1-cyclohexyl-3-[(2R)-6-methylhept-5-en-2-yl]urea
CID 2336218

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-methylidenecyclohexyl)urea?
The IUPAC name of 1-methoxy-3-(4-methylidenecyclohexyl)urea (CID 91252430) is 1-methoxy-3-(4-methylidenecyclohexyl)urea.
What is the SMILES notation for 1-methoxy-3-(4-methylidenecyclohexyl)urea?
The canonical SMILES for 1-methoxy-3-(4-methylidenecyclohexyl)urea is C=C1CCC(NC(=O)NOC)CC1.
What is the InChIKey of 1-methoxy-3-(4-methylidenecyclohexyl)urea?
The InChIKey is WXWQUQJSGVYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-3-5-8(6-4-7)10-9(12)11-13-2/h8H,1,3-6H2,2H3,(H2,10,11,12).
What are the key properties of 1-methoxy-3-(4-methylidenecyclohexyl)urea?
1-methoxy-3-(4-methylidenecyclohexyl)urea has a molecular weight of 184.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylidenecyclohexyl)urea is sourced from PubChem (CID 91252430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).