N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide

C13H21NO — CID 123818181

IUPACN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
SMILESC=CC(=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3
InChIKeyUQKNBFMWGJNHHW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds3

About N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide

N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide (PubChem CID 123818181) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
PubChem CID123818181
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
SMILESC=CC(=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3
InChIKeyUQKNBFMWGJNHHW-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide 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 N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The IUPAC name of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide (CID 123818181) is N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide is C=CC(=CC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The InChIKey is UQKNBFMWGJNHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3.
What are the key properties of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide has a molecular weight of 207.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide is sourced from PubChem (CID 123818181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).