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

C17H26N2O2 — CID 155253071

IUPAC6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H26N2O2/c1-16(2,3)15(21)17(4)12(11-8-9-19-10-11)6-5-7-13(17)14(18)20/h5-7,11,13,19H,8-10H2,1-4H3,(H2,18,20)
InChIKeyZJJUINLBQFPBSK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds3

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

6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 155253071) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID155253071
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C17H26N2O2/c1-16(2,3)15(21)17(4)12(11-8-9-19-10-11)6-5-7-13(17)14(18)20/h5-7,11,13,19H,8-10H2,1-4H3,(H2,18,20)
InChIKeyZJJUINLBQFPBSK-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(2,2-dimethylpropanoyl)-6-methyl-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-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (CID 155253071) is 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is CC(C)(C)C(=O)C1(C)C(C2CCNC2)=CC=CC1C(N)=O.
What is the InChIKey of 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is ZJJUINLBQFPBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)15(21)17(4)12(11-8-9-19-10-11)6-5-7-13(17)14(18)20/h5-7,11,13,19H,8-10H2,1-4H3,(H2,18,20).
What are the key properties of 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoyl)-6-methyl-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 155253071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).