4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one

C10H11F2N3O — CID 11253149

IUPAC4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cn1ccnc1
InChIInChI=1S/C10H11F2N3O/c11-9(12)3-8-4-10(16)15(5-8)7-14-2-1-13-6-14/h1-3,6,8H,4-5,7H2
InChIKeyGVOMOCYUXNMCEE-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.47
Rot. Bonds3

About 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one

4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one (PubChem CID 11253149) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
PubChem CID11253149
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cn1ccnc1
InChIInChI=1S/C10H11F2N3O/c11-9(12)3-8-4-10(16)15(5-8)7-14-2-1-13-6-14/h1-3,6,8H,4-5,7H2
InChIKeyGVOMOCYUXNMCEE-UHFFFAOYSA-N
XLogP1.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one (CID 11253149) is 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one is O=C1CC(C=C(F)F)CN1Cn1ccnc1.
What is the InChIKey of 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is GVOMOCYUXNMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-9(12)3-8-4-10(16)15(5-8)7-14-2-1-13-6-14/h1-3,6,8H,4-5,7H2.
What are the key properties of 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 11253149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).