1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile

C10H15F2N3 — CID 138720105

IUPAC1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile
SMILESC=C(C(N)CC)N1CC(F)(F)CC1C#N
InChIInChI=1S/C10H15F2N3/c1-3-9(14)7(2)15-6-10(11,12)4-8(15)5-13/h8-9H,2-4,6,14H2,1H3
InChIKeyJLQWDRJKGVNADC-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds3

About 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile

1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile (PubChem CID 138720105) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile
PubChem CID138720105
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile
SMILESC=C(C(N)CC)N1CC(F)(F)CC1C#N
InChIInChI=1S/C10H15F2N3/c1-3-9(14)7(2)15-6-10(11,12)4-8(15)5-13/h8-9H,2-4,6,14H2,1H3
InChIKeyJLQWDRJKGVNADC-UHFFFAOYSA-N
XLogP1.47
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
CID 156824972
3-(3,3-Difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 156826826
ethane;2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335133
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine
CID 156824973
2-(4,4-Difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine
CID 166162382
2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335134

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile?
The IUPAC name of 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile (CID 138720105) is 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile is C=C(C(N)CC)N1CC(F)(F)CC1C#N.
What is the InChIKey of 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile?
The InChIKey is JLQWDRJKGVNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-3-9(14)7(2)15-6-10(11,12)4-8(15)5-13/h8-9H,2-4,6,14H2,1H3.
What are the key properties of 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile?
1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile has a molecular weight of 215.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile is sourced from PubChem (CID 138720105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).