N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine

C11H17FN2 — CID 123748986

IUPACN-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine
SMILESC=CCC1(F)CN/C(=C/N=C(C)C)C1
InChIInChI=1S/C11H17FN2/c1-4-5-11(12)6-10(14-8-11)7-13-9(2)3/h4,7,14H,1,5-6,8H2,2-3H3/b10-7+
InChIKeyGNCCJQGRNFCZLS-JXMROGBWSA-N
MW196.27 g/mol
LogP2.59
Rot. Bonds3

About N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine

N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine (PubChem CID 123748986) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine
PubChem CID123748986
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine
SMILESC=CCC1(F)CN/C(=C/N=C(C)C)C1
InChIInChI=1S/C11H17FN2/c1-4-5-11(12)6-10(14-8-11)7-13-9(2)3/h4,7,14H,1,5-6,8H2,2-3H3/b10-7+
InChIKeyGNCCJQGRNFCZLS-JXMROGBWSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(Pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-1,2-dihydropyrazine
CID 135135472
3-ethyl-N-[1-(1-methylpyrrolidin-3-yl)ethenyl]-4-prop-1-en-2-yliminohex-5-en-1-amine
CID 134525464
2,3-Dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135356
ethane;fluoromethane;(E)-4-methylimino-4-pyrrolidin-3-ylbut-2-en-2-amine;propane
CID 144740190

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine?
The IUPAC name of N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine (CID 123748986) is N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine.
What is the SMILES notation for N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine?
The canonical SMILES for N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine is C=CCC1(F)CN/C(=C/N=C(C)C)C1.
What is the InChIKey of N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine?
The InChIKey is GNCCJQGRNFCZLS-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17FN2/c1-4-5-11(12)6-10(14-8-11)7-13-9(2)3/h4,7,14H,1,5-6,8H2,2-3H3/b10-7+.
What are the key properties of N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine?
N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine has a molecular weight of 196.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluoro-4-prop-2-enylpyrrolidin-2-ylidene)methyl]propan-2-imine is sourced from PubChem (CID 123748986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).