(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine

C8H15FN2 — CID 143715187

IUPAC(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine
SMILESC/C=C\[C@@]1(N)CN(C)C[C@@H]1F
InChIInChI=1S/C8H15FN2/c1-3-4-8(10)6-11(2)5-7(8)9/h3-4,7H,5-6,10H2,1-2H3/b4-3-/t7-,8+/m0/s1
InChIKeyWFZIIGSLBTWJRP-UIPXTHJYSA-N
MW158.22 g/mol
LogP0.54
Rot. Bonds1

About (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine

(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine (PubChem CID 143715187) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine
PubChem CID143715187
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine
SMILESC/C=C\[C@@]1(N)CN(C)C[C@@H]1F
InChIInChI=1S/C8H15FN2/c1-3-4-8(10)6-11(2)5-7(8)9/h3-4,7H,5-6,10H2,1-2H3/b4-3-/t7-,8+/m0/s1
InChIKeyWFZIIGSLBTWJRP-UIPXTHJYSA-N
XLogP0.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine with MolForge

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Related Compounds

(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 156736872
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 143715131
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172529
1-methyl-3-[(E)-prop-1-enyl]azetidine
CID 171094994
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine
CID 143040281
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine (CID 143715187) is (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine is C/C=C\[C@@]1(N)CN(C)C[C@@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine?
The InChIKey is WFZIIGSLBTWJRP-UIPXTHJYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-3-4-8(10)6-11(2)5-7(8)9/h3-4,7H,5-6,10H2,1-2H3/b4-3-/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine?
(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine has a molecular weight of 158.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine is sourced from PubChem (CID 143715187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).