5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one

C16H19N5O — CID 53300801

IUPAC5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1C1CC1
InChIInChI=1S/C16H19N5O/c1-16(10-9-14(22)21(16)13-7-8-13)15-17-18-19-20(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyOFGMPCWFIVQHLT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.72
Rot. Bonds4

About 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one (PubChem CID 53300801) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
PubChem CID53300801
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1C1CC1
InChIInChI=1S/C16H19N5O/c1-16(10-9-14(22)21(16)13-7-8-13)15-17-18-19-20(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyOFGMPCWFIVQHLT-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-{[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
5-(1-Butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300802
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperidine-4-carboxylic acid amide
CID 3209665
5-(1-Benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300792
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-phenyl-methyl]-piperidine-4-carboxylic acid amide
CID 3208726
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-butyl]-piperidine-4-carboxylic acid amide
CID 6603125
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300753
5-(1-Benzyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300755
5-(1-Butyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300764

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one (CID 53300801) is 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1C1CC1.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
The InChIKey is OFGMPCWFIVQHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(10-9-14(22)21(16)13-7-8-13)15-17-18-19-20(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).