1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one

C17H21N5O — CID 53300791

IUPAC1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C17H21N5O/c1-11-5-4-6-12(2)15(11)22-16(18-19-20-22)17(3)10-9-14(23)21(17)13-7-8-13/h4-6,13H,7-10H2,1-3H3
InChIKeyBLKINSVOIHIPHN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one

1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (PubChem CID 53300791) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
PubChem CID53300791
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C17H21N5O/c1-11-5-4-6-12(2)15(11)22-16(18-19-20-22)17(3)10-9-14(23)21(17)13-7-8-13/h4-6,13H,7-10H2,1-3H3
InChIKeyBLKINSVOIHIPHN-UHFFFAOYSA-N
XLogP2.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one 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 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (CID 53300791) is 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The InChIKey is BLKINSVOIHIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-5-4-6-12(2)15(11)22-16(18-19-20-22)17(3)10-9-14(23)21(17)13-7-8-13/h4-6,13H,7-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).