(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide

C10H15NO — CID 143355747

IUPAC(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1C=CC([C@H](C)C(N)=O)=CC1
InChIInChI=1S/C10H15NO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/t7?,8-/m0/s1
InChIKeyLMCROPPYKNRCGE-MQWKRIRWSA-N
MW165.24 g/mol
LogP1.63
Rot. Bonds2

About (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide

(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 143355747) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID143355747
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1C=CC([C@H](C)C(N)=O)=CC1
InChIInChI=1S/C10H15NO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/t7?,8-/m0/s1
InChIKeyLMCROPPYKNRCGE-MQWKRIRWSA-N
XLogP1.63
TPSA43.09 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide (CID 143355747) is (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide is CC1C=CC([C@H](C)C(N)=O)=CC1.
What is the InChIKey of (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is LMCROPPYKNRCGE-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide?
(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 165.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 143355747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).