5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

C23H26N6O2 — CID 53300758

IUPAC5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26N6O2/c1-23(22-24-25-26-28(22)17-18-5-3-2-4-6-18)12-11-21(30)29(23)20-9-7-19(8-10-20)27-13-15-31-16-14-27/h2-10H,11-17H2,1H3
InChIKeyLPKHPBGTIZYIFW-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.60
Rot. Bonds5

About 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 53300758) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID53300758
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26N6O2/c1-23(22-24-25-26-28(22)17-18-5-3-2-4-6-18)12-11-21(30)29(23)20-9-7-19(8-10-20)27-13-15-31-16-14-27/h2-10H,11-17H2,1H3
InChIKeyLPKHPBGTIZYIFW-UHFFFAOYSA-N
XLogP2.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 53300758) is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is LPKHPBGTIZYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-23(22-24-25-26-28(22)17-18-5-3-2-4-6-18)12-11-21(30)29(23)20-9-7-19(8-10-20)27-13-15-31-16-14-27/h2-10H,11-17H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 53300758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).