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

C21H29N5O — CID 53300787

IUPAC1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C21H29N5O/c1-15-8-7-9-16(2)19(15)26-20(22-23-24-26)21(3)13-12-18(27)25(21)14-17-10-5-4-6-11-17/h7-9,17H,4-6,10-14H2,1-3H3
InChIKeyQVKMBIQHSJOPPO-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.70
Rot. Bonds4

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

1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (PubChem CID 53300787) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
PubChem CID53300787
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
SMILESCc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C21H29N5O/c1-15-8-7-9-16(2)19(15)26-20(22-23-24-26)21(3)13-12-18(27)25(21)14-17-10-5-4-6-11-17/h7-9,17H,4-6,10-14H2,1-3H3
InChIKeyQVKMBIQHSJOPPO-UHFFFAOYSA-N
XLogP3.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 651757
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-[2-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-nitrosopiperazine
CID 3312555
1-Cyclopropyl-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one
CID 53300791
3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-6-methyl-1H-quinolin-2-one
CID 647666
3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-8-methyl-1H-quinolin-2-one
CID 650268
N-{[4-(dimethylamino)phenyl][1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylacetamide
CID 15945663
8-[Cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360790
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 53300740
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300742
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300747
3-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)-2-(4-methylbenzyl)isoindolin-1-one
CID 53301634

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one (CID 53300787) is 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is Cc1cccc(C)c1-n1nnnc1C1(C)CCC(=O)N1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
The InChIKey is QVKMBIQHSJOPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-8-7-9-16(2)19(15)26-20(22-23-24-26)21(3)13-12-18(27)25(21)14-17-10-5-4-6-11-17/h7-9,17H,4-6,10-14H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one?
1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one has a molecular weight of 367.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).