N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide

C11H13NO — CID 91047891

IUPACN-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide
SMILESCCCC(=O)NC1=CC=C=CC=C1
InChIInChI=1S/C11H13NO/c1-2-7-11(13)12-10-8-5-3-4-6-9-10/h3,5-6,8-9H,2,7H2,1H3,(H,12,13)
InChIKeyRHQFQQARLYGSEJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.07
Rot. Bonds3

About N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide

N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide (PubChem CID 91047891) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide.

Molecular Properties

Compound NameN-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide
PubChem CID91047891
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide
SMILESCCCC(=O)NC1=CC=C=CC=C1
InChIInChI=1S/C11H13NO/c1-2-7-11(13)12-10-8-5-3-4-6-9-10/h3,5-6,8-9H,2,7H2,1H3,(H,12,13)
InChIKeyRHQFQQARLYGSEJ-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide 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-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide?
The IUPAC name of N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide (CID 91047891) is N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide.
What is the SMILES notation for N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide?
The canonical SMILES for N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide is CCCC(=O)NC1=CC=C=CC=C1.
What is the InChIKey of N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide?
The InChIKey is RHQFQQARLYGSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-7-11(13)12-10-8-5-3-4-6-9-10/h3,5-6,8-9H,2,7H2,1H3,(H,12,13).
What are the key properties of N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide?
N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide has a molecular weight of 175.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,4,6-tetraen-1-ylbutanamide is sourced from PubChem (CID 91047891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).