5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one

C21H23N5O2 — CID 53300794

IUPAC5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C21H23N5O2/c1-21(20-22-23-24-26(20)15-17-5-3-2-4-6-17)13-11-19(28)25(21)14-12-16-7-9-18(27)10-8-16/h2-10,27H,11-15H2,1H3
InChIKeyXHQCTPYIYNBDDW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.51
Rot. Bonds6

About 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one (PubChem CID 53300794) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one
PubChem CID53300794
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C21H23N5O2/c1-21(20-22-23-24-26(20)15-17-5-3-2-4-6-17)13-11-19(28)25(21)14-12-16-7-9-18(27)10-8-16/h2-10,27H,11-15H2,1H3
InChIKeyXHQCTPYIYNBDDW-UHFFFAOYSA-N
XLogP2.51
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one (CID 53300794) is 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCc1ccc(O)cc1.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one?
The InChIKey is XHQCTPYIYNBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-21(20-22-23-24-26(20)15-17-5-3-2-4-6-17)13-11-19(28)25(21)14-12-16-7-9-18(27)10-8-16/h2-10,27H,11-15H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-1-[2-(4-hydroxyphenyl)ethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).