[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea

C11H17N3O — CID 2807505

IUPAC[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea
SMILESCC1=C2CCCC2CCC1=NNC(N)=O
InChIInChI=1S/C11H17N3O/c1-7-9-4-2-3-8(9)5-6-10(7)13-14-11(12)15/h8H,2-6H2,1H3,(H3,12,14,15)
InChIKeyACGPKNMJUFBWGA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.92
Rot. Bonds1

About [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea

[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea (PubChem CID 2807505) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea.

Molecular Properties

Compound Name[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea
PubChem CID2807505
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea
SMILESCC1=C2CCCC2CCC1=NNC(N)=O
InChIInChI=1S/C11H17N3O/c1-7-9-4-2-3-8(9)5-6-10(7)13-14-11(12)15/h8H,2-6H2,1H3,(H3,12,14,15)
InChIKeyACGPKNMJUFBWGA-UHFFFAOYSA-N
XLogP1.92
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea?
The IUPAC name of [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea (CID 2807505) is [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea.
What is the SMILES notation for [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea?
The canonical SMILES for [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea is CC1=C2CCCC2CCC1=NNC(N)=O.
What is the InChIKey of [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea?
The InChIKey is ACGPKNMJUFBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-9-4-2-3-8(9)5-6-10(7)13-14-11(12)15/h8H,2-6H2,1H3,(H3,12,14,15).
What are the key properties of [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea?
[(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea has a molecular weight of 207.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene)amino]urea is sourced from PubChem (CID 2807505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).