N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide

C10H15NO — CID 123474269

IUPACN-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)N(C)C1=CC=C(C)CC1
InChIInChI=1S/C10H15NO/c1-8-4-6-10(7-5-8)11(3)9(2)12/h4,6H,5,7H2,1-3H3
InChIKeyRVMBGFRMKSRJTO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds1

About N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide

N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 123474269) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID123474269
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)N(C)C1=CC=C(C)CC1
InChIInChI=1S/C10H15NO/c1-8-4-6-10(7-5-8)11(3)9(2)12/h4,6H,5,7H2,1-3H3
InChIKeyRVMBGFRMKSRJTO-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide (CID 123474269) is N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide is CC(=O)N(C)C1=CC=C(C)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is RVMBGFRMKSRJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-6-10(7-5-8)11(3)9(2)12/h4,6H,5,7H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide?
N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 123474269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).