3-cyclohexa-1,5-dien-1-ylpropanamide

C9H13NO — CID 22318794

IUPAC3-cyclohexa-1,5-dien-1-ylpropanamide
SMILESNC(=O)CCC1=CCCC=C1
InChIInChI=1S/C9H13NO/c10-9(11)7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H2,10,11)
InChIKeyZFWNMTZOQPHLSM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.53
Rot. Bonds3

About 3-cyclohexa-1,5-dien-1-ylpropanamide

3-cyclohexa-1,5-dien-1-ylpropanamide (PubChem CID 22318794) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-ylpropanamide.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-ylpropanamide
PubChem CID22318794
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-cyclohexa-1,5-dien-1-ylpropanamide
SMILESNC(=O)CCC1=CCCC=C1
InChIInChI=1S/C9H13NO/c10-9(11)7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H2,10,11)
InChIKeyZFWNMTZOQPHLSM-UHFFFAOYSA-N
XLogP1.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-ylpropanamide?
The IUPAC name of 3-cyclohexa-1,5-dien-1-ylpropanamide (CID 22318794) is 3-cyclohexa-1,5-dien-1-ylpropanamide.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-ylpropanamide?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-ylpropanamide is NC(=O)CCC1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-ylpropanamide?
The InChIKey is ZFWNMTZOQPHLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-9(11)7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H2,10,11).
What are the key properties of 3-cyclohexa-1,5-dien-1-ylpropanamide?
3-cyclohexa-1,5-dien-1-ylpropanamide has a molecular weight of 151.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-ylpropanamide is sourced from PubChem (CID 22318794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).