(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide

C9H14F2N2O — CID 70335154

IUPAC(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
SMILESC/C=C1/C(C(=O)NCC)NCC1(F)F
InChIInChI=1S/C9H14F2N2O/c1-3-6-7(8(14)12-4-2)13-5-9(6,10)11/h3,7,13H,4-5H2,1-2H3,(H,12,14)/b6-3-
InChIKeyRRPRVVVGGCMXIO-UTCJRWHESA-N
MW204.22 g/mol
LogP0.68
Rot. Bonds2

About (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide

(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 70335154) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID70335154
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide
SMILESC/C=C1/C(C(=O)NCC)NCC1(F)F
InChIInChI=1S/C9H14F2N2O/c1-3-6-7(8(14)12-4-2)13-5-9(6,10)11/h3,7,13H,4-5H2,1-2H3,(H,12,14)/b6-3-
InChIKeyRRPRVVVGGCMXIO-UTCJRWHESA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide (CID 70335154) is (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide is C/C=C1/C(C(=O)NCC)NCC1(F)F.
What is the InChIKey of (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is RRPRVVVGGCMXIO-UTCJRWHESA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-3-6-7(8(14)12-4-2)13-5-9(6,10)11/h3,7,13H,4-5H2,1-2H3,(H,12,14)/b6-3-.
What are the key properties of (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide?
(3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-ethylidene-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 70335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).