N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide

C10H15NO — CID 123311571

IUPACN-cyclohexa-1,3-dien-1-yl-2-methylpropanamide
SMILESCC(C)C(=O)NC1=CC=CCC1
InChIInChI=1S/C10H15NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-4,6,8H,5,7H2,1-2H3,(H,11,12)
InChIKeyYQKXOSZDOUXORD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds2

About N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide

N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide (PubChem CID 123311571) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-2-methylpropanamide
PubChem CID123311571
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-cyclohexa-1,3-dien-1-yl-2-methylpropanamide
SMILESCC(C)C(=O)NC1=CC=CCC1
InChIInChI=1S/C10H15NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-4,6,8H,5,7H2,1-2H3,(H,11,12)
InChIKeyYQKXOSZDOUXORD-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide (CID 123311571) is N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide is CC(C)C(=O)NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide?
The InChIKey is YQKXOSZDOUXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-4,6,8H,5,7H2,1-2H3,(H,11,12).
What are the key properties of N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide?
N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide has a molecular weight of 165.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-2-methylpropanamide is sourced from PubChem (CID 123311571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).