5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C20H27N5O2 — CID 53383717

IUPAC5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C20H27N5O2/c1-20(19-21-22-23-25(19)16-6-4-3-5-7-16)13-12-18(26)24(20)14-15-8-10-17(27-2)11-9-15/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyIURPDDIXECWJCN-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.22
Rot. Bonds5

About 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 53383717) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID53383717
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C20H27N5O2/c1-20(19-21-22-23-25(19)16-6-4-3-5-7-16)13-12-18(26)24(20)14-15-8-10-17(27-2)11-9-15/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyIURPDDIXECWJCN-UHFFFAOYSA-N
XLogP3.22
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 53383717) is 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is COc1ccc(CN2C(=O)CCC2(C)c2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is IURPDDIXECWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(19-21-22-23-25(19)16-6-4-3-5-7-16)13-12-18(26)24(20)14-15-8-10-17(27-2)11-9-15/h8-11,16H,3-7,12-14H2,1-2H3.
What are the key properties of 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyltetrazol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53383717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).