(3-methylidenecyclohexyl)urea

C8H14N2O — CID 90836636

IUPAC(3-methylidenecyclohexyl)urea
SMILESC=C1CCCC(NC(N)=O)C1
InChIInChI=1S/C8H14N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h7H,1-5H2,(H3,9,10,11)
InChIKeySZZAQSYQSWKBPQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.15
Rot. Bonds1

About (3-methylidenecyclohexyl)urea

(3-methylidenecyclohexyl)urea (PubChem CID 90836636) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)urea.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)urea
PubChem CID90836636
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3-methylidenecyclohexyl)urea
SMILESC=C1CCCC(NC(N)=O)C1
InChIInChI=1S/C8H14N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h7H,1-5H2,(H3,9,10,11)
InChIKeySZZAQSYQSWKBPQ-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.15
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 (3-methylidenecyclohexyl)urea?
The IUPAC name of (3-methylidenecyclohexyl)urea (CID 90836636) is (3-methylidenecyclohexyl)urea.
What is the SMILES notation for (3-methylidenecyclohexyl)urea?
The canonical SMILES for (3-methylidenecyclohexyl)urea is C=C1CCCC(NC(N)=O)C1.
What is the InChIKey of (3-methylidenecyclohexyl)urea?
The InChIKey is SZZAQSYQSWKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h7H,1-5H2,(H3,9,10,11).
What are the key properties of (3-methylidenecyclohexyl)urea?
(3-methylidenecyclohexyl)urea has a molecular weight of 154.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)urea is sourced from PubChem (CID 90836636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).