1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea

C9H16N2O — CID 89159302

IUPAC1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea
SMILESC=C1CCCC[C@H]1NC(=O)NC
InChIInChI=1S/C9H16N2O/c1-7-5-3-4-6-8(7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12)/t8-/m1/s1
InChIKeyWMNROPRBGDCCRL-MRVPVSSYSA-N
MW168.24 g/mol
LogP1.41
Rot. Bonds1

About 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea

1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea (PubChem CID 89159302) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea
PubChem CID89159302
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea
SMILESC=C1CCCC[C@H]1NC(=O)NC
InChIInChI=1S/C9H16N2O/c1-7-5-3-4-6-8(7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12)/t8-/m1/s1
InChIKeyWMNROPRBGDCCRL-MRVPVSSYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea?
The IUPAC name of 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea (CID 89159302) is 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea?
The canonical SMILES for 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea is C=C1CCCC[C@H]1NC(=O)NC.
What is the InChIKey of 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea?
The InChIKey is WMNROPRBGDCCRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-5-3-4-6-8(7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12)/t8-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea?
1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea has a molecular weight of 168.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-2-methylidenecyclohexyl]urea is sourced from PubChem (CID 89159302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).