6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

C17H26N2O2 — CID 155252984

IUPAC6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H26N2O2/c1-4-11(2)15(20)17(3)13(12-8-9-19-10-12)6-5-7-14(17)16(18)21/h5-7,11-12,14,19H,4,8-10H2,1-3H3,(H2,18,21)
InChIKeyYUEGQLYTXQBINM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds5

About 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 155252984) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID155252984
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H26N2O2/c1-4-11(2)15(20)17(3)13(12-8-9-19-10-12)6-5-7-14(17)16(18)21/h5-7,11-12,14,19H,4,8-10H2,1-3H3,(H2,18,21)
InChIKeyYUEGQLYTXQBINM-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide 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 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (CID 155252984) is 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is CCC(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O.
What is the InChIKey of 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YUEGQLYTXQBINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-11(2)15(20)17(3)13(12-8-9-19-10-12)6-5-7-14(17)16(18)21/h5-7,11-12,14,19H,4,8-10H2,1-3H3,(H2,18,21).
What are the key properties of 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(2-methylbutanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 155252984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).