4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide

C12H18N2O — CID 143339068

IUPAC4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide
SMILES[H]/N=C(/CC(C)C1=CCCC=CC1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-9(8-11(13)12(14)15)10-6-4-2-3-5-7-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H2,14,15)/b13-11-
InChIKeyQHKHDTOIYPQSQW-QBFSEMIESA-N
MW206.29 g/mol
LogP2.18
Rot. Bonds4

About 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide

4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide (PubChem CID 143339068) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide.

Molecular Properties

Compound Name4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide
PubChem CID143339068
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide
SMILES[H]/N=C(/CC(C)C1=CCCC=CC1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-9(8-11(13)12(14)15)10-6-4-2-3-5-7-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H2,14,15)/b13-11-
InChIKeyQHKHDTOIYPQSQW-QBFSEMIESA-N
XLogP2.18
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide 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-cyclohepta-1,5-dien-1-yl-2-iminopentanamide?
The IUPAC name of 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide (CID 143339068) is 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide.
What is the SMILES notation for 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide?
The canonical SMILES for 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide is [H]/N=C(/CC(C)C1=CCCC=CC1)C(N)=O.
What is the InChIKey of 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide?
The InChIKey is QHKHDTOIYPQSQW-QBFSEMIESA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(8-11(13)12(14)15)10-6-4-2-3-5-7-10/h2,4,7,9,13H,3,5-6,8H2,1H3,(H2,14,15)/b13-11-.
What are the key properties of 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide?
4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide has a molecular weight of 206.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,5-dien-1-yl-2-iminopentanamide is sourced from PubChem (CID 143339068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).