N-cyclohexa-1,5-dien-1-ylpropanamide

C9H13NO — CID 22446101

IUPACN-cyclohexa-1,5-dien-1-ylpropanamide
SMILESCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-2-9(11)10-8-6-4-3-5-7-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyADZUKPLFPRUKOX-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.75
Rot. Bonds2

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

N-cyclohexa-1,5-dien-1-ylpropanamide (PubChem CID 22446101) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylpropanamide
PubChem CID22446101
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-cyclohexa-1,5-dien-1-ylpropanamide
SMILESCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-2-9(11)10-8-6-4-3-5-7-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyADZUKPLFPRUKOX-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylpropanamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylpropanamide (CID 22446101) is N-cyclohexa-1,5-dien-1-ylpropanamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylpropanamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylpropanamide is CCC(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylpropanamide?
The InChIKey is ADZUKPLFPRUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-9(11)10-8-6-4-3-5-7-8/h4,6-7H,2-3,5H2,1H3,(H,10,11).
What are the key properties of N-cyclohexa-1,5-dien-1-ylpropanamide?
N-cyclohexa-1,5-dien-1-ylpropanamide has a molecular weight of 151.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylpropanamide is sourced from PubChem (CID 22446101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).