2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

C15H21N3O — CID 43596779

IUPAC2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCc1cccc(NC(=O)N2C(C)CC3CNCC32)c1
InChIInChI=1S/C15H21N3O/c1-10-4-3-5-13(6-10)17-15(19)18-11(2)7-12-8-16-9-14(12)18/h3-6,11-12,14,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyMAHYIMICJVSSNY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide

2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (PubChem CID 43596779) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
PubChem CID43596779
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
SMILESCc1cccc(NC(=O)N2C(C)CC3CNCC32)c1
InChIInChI=1S/C15H21N3O/c1-10-4-3-5-13(6-10)17-15(19)18-11(2)7-12-8-16-9-14(12)18/h3-6,11-12,14,16H,7-9H2,1-2H3,(H,17,19)
InChIKeyMAHYIMICJVSSNY-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-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 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide (CID 43596779) is 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is Cc1cccc(NC(=O)N2C(C)CC3CNCC32)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
The InChIKey is MAHYIMICJVSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-4-3-5-13(6-10)17-15(19)18-11(2)7-12-8-16-9-14(12)18/h3-6,11-12,14,16H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide?
2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide is sourced from PubChem (CID 43596779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).