4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide

C11H17NO — CID 89088693

IUPAC4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCNC(=O)C1=CCC(C)C=C1
InChIInChI=1S/C11H17NO/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyYKWBQFKTCKVXES-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide

4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 89088693) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide
PubChem CID89088693
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide
SMILESCCCNC(=O)C1=CCC(C)C=C1
InChIInChI=1S/C11H17NO/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyYKWBQFKTCKVXES-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide 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-N-propylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide (CID 89088693) is 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide is CCCNC(=O)C1=CCC(C)C=C1.
What is the InChIKey of 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is YKWBQFKTCKVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide?
4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 89088693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).