N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide

C10H15NO — CID 18707358

IUPACN-cyclohexa-1,5-dien-1-yl-N-methylpropanamide
SMILESCCC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPSAWEFMAFGLTCZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide

N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide (PubChem CID 18707358) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-methylpropanamide
PubChem CID18707358
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-methylpropanamide
SMILESCCC(=O)N(C)C1=CCCC=C1
InChIInChI=1S/C10H15NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPSAWEFMAFGLTCZ-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide (CID 18707358) is N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide is CCC(=O)N(C)C1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide?
The InChIKey is PSAWEFMAFGLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-10(12)11(2)9-7-5-4-6-8-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide?
N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide has a molecular weight of 165.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide is sourced from PubChem (CID 18707358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).