2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide

C11H17NO — CID 123325571

IUPAC2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide
SMILESCC1C=CC=C(NC(=O)C(C)C)C1
InChIInChI=1S/C11H17NO/c1-8(2)11(13)12-10-6-4-5-9(3)7-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)
InChIKeyNYTHCVHGIMFNLP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.24
Rot. Bonds2

About 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide

2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide (PubChem CID 123325571) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide
PubChem CID123325571
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide
SMILESCC1C=CC=C(NC(=O)C(C)C)C1
InChIInChI=1S/C11H17NO/c1-8(2)11(13)12-10-6-4-5-9(3)7-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)
InChIKeyNYTHCVHGIMFNLP-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide (CID 123325571) is 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide is CC1C=CC=C(NC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide?
The InChIKey is NYTHCVHGIMFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)11(13)12-10-6-4-5-9(3)7-10/h4-6,8-9H,7H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide?
2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide has a molecular weight of 179.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)propanamide is sourced from PubChem (CID 123325571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).