(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide

C11H17FN2O — CID 120607745

IUPAC(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C11H17FN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m0/s1
InChIKeyDDCQDKGQEWEXNV-VHSXEESVSA-N
MW212.27 g/mol
LogP0.89
Rot. Bonds5

About (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide

(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 120607745) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID120607745
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C11H17FN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m0/s1
InChIKeyDDCQDKGQEWEXNV-VHSXEESVSA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
CID 103655672
(S)-1-Allylpyrrolidine-2-carboxamide
CID 45084391
N-(prop-2-en-1-yl)pyrrolidine-2-carboxamide
CID 24710865
(2S,4S)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11636957
(2S)-N-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxamide
CID 54211388
(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide
CID 54422523
(2S)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 69967298
(2S,4S)-4-fluoro-1-formyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 89383923
4-fluoro-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 91261843
N-ethyl-4-fluoro-1-propan-2-ylpyrrolidine-2-carboxamide
CID 91302729

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide (CID 120607745) is (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide is C=CCN(CC=C)C(=O)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is DDCQDKGQEWEXNV-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-5-14(6-4-2)11(15)10-7-9(12)8-13-10/h3-4,9-10,13H,1-2,5-8H2/t9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide?
(2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N,N-bis(prop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120607745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).