N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide

C9H13NO — CID 22367871

IUPACN-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(C)C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyXTIMSIDXVGORLN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds1

About N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide

N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 22367871) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID22367871
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(5-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=CC(C)C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyXTIMSIDXVGORLN-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide (CID 22367871) is N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide is CC(=O)NC1=CC=CC(C)C1.
What is the InChIKey of N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is XTIMSIDXVGORLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-5,7H,6H2,1-2H3,(H,10,11).
What are the key properties of N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide?
N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 22367871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).