(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one

C12H13N5O — CID 102242252

IUPAC(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](Cc2nn[nH]n2)N1c1ccccc1
InChIInChI=1S/C12H13N5O/c18-12-7-6-10(8-11-13-15-16-14-11)17(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15,16)/t10-/m0/s1
InChIKeyBXODLMLQVRDMRL-JTQLQIEISA-N
MW243.27 g/mol
LogP0.94
Rot. Bonds3

About (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one

(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 102242252) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID102242252
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](Cc2nn[nH]n2)N1c1ccccc1
InChIInChI=1S/C12H13N5O/c18-12-7-6-10(8-11-13-15-16-14-11)17(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15,16)/t10-/m0/s1
InChIKeyBXODLMLQVRDMRL-JTQLQIEISA-N
XLogP0.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one (CID 102242252) is (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one is O=C1CC[C@@H](Cc2nn[nH]n2)N1c1ccccc1.
What is the InChIKey of (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is BXODLMLQVRDMRL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N5O/c18-12-7-6-10(8-11-13-15-16-14-11)17(12)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14,15,16)/t10-/m0/s1.
What are the key properties of (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one?
(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 243.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 102242252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).