3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one

C14H14FN5OS — CID 56788257

IUPAC3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2C2CC2)CCN1c1ccccc1F
InChIInChI=1S/C14H14FN5OS/c15-10-3-1-2-4-11(10)19-8-7-12(13(19)21)22-14-16-17-18-20(14)9-5-6-9/h1-4,9,12H,5-8H2
InChIKeyMAUNMHGTELYCKK-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.04
Rot. Bonds4

About 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one

3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 56788257) has the molecular formula C14H14FN5OS and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID56788257
Molecular FormulaC14H14FN5OS
Molecular Weight319.37 g/mol
Exact Mass319.09
IUPAC Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Sc2nnnn2C2CC2)CCN1c1ccccc1F
InChIInChI=1S/C14H14FN5OS/c15-10-3-1-2-4-11(10)19-8-7-12(13(19)21)22-14-16-17-18-20(14)9-5-6-9/h1-4,9,12H,5-8H2
InChIKeyMAUNMHGTELYCKK-UHFFFAOYSA-N
XLogP2.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one (CID 56788257) is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one is O=C1C(Sc2nnnn2C2CC2)CCN1c1ccccc1F.
What is the InChIKey of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is MAUNMHGTELYCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5OS/c15-10-3-1-2-4-11(10)19-8-7-12(13(19)21)22-14-16-17-18-20(14)9-5-6-9/h1-4,9,12H,5-8H2.
What are the key properties of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 56788257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).