(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile

C15H18FN3 — CID 164763189

IUPAC(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
SMILESCC1(C)CC(N2CCCC2)=C(C#N)/C(=C(\F)C#N)C1
InChIInChI=1S/C15H18FN3/c1-15(2)7-11(13(16)10-18)12(9-17)14(8-15)19-5-3-4-6-19/h3-8H2,1-2H3/b13-11-
InChIKeyUTWRYOYGZXIKDO-QBFSEMIESA-N
MW259.33 g/mol
LogP3.43
Rot. Bonds1

About (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile

(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile (PubChem CID 164763189) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile.

Molecular Properties

Compound Name(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
PubChem CID164763189
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
SMILESCC1(C)CC(N2CCCC2)=C(C#N)/C(=C(\F)C#N)C1
InChIInChI=1S/C15H18FN3/c1-15(2)7-11(13(16)10-18)12(9-17)14(8-15)19-5-3-4-6-19/h3-8H2,1-2H3/b13-11-
InChIKeyUTWRYOYGZXIKDO-QBFSEMIESA-N
XLogP3.43
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Difluoromethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 154691761
2-[5,5-Dimethyl-3-pyrrolidin-1-yl-2-(trifluoromethyl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 154691808
2-[2-Cyano-3-(2-fluoropiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 164763127
2-[5,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene]propanedinitrile
CID 164763230
4,4-Dimethyl-2-pyrrolidin-1-yl-6-(1,1,3,3-tetrafluoropropan-2-ylidene)cyclohexene-1-carbonitrile
CID 164763449
(6Z)-6-(1-cyano-2,2,2-trifluoroethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 164763552
(6E)-6-(1-cyano-2-fluoroethylidene)-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile
CID 164763555
2-(2-Fluoro-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)propanedinitrile
CID 164763568
2-[3-[Bis(3,3,3-trifluoropropyl)amino]-2-cyano-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 167061224
[5,5-Dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 21516726
2-[2-[Ethyl(methyl)amino]-4,4-dimethylcyclohexen-1-yl]prop-2-enenitrile
CID 144017158
2-[2-Cyano-3-[ethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 154691712

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The IUPAC name of (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile (CID 164763189) is (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile.
What is the SMILES notation for (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The canonical SMILES for (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile is CC1(C)CC(N2CCCC2)=C(C#N)/C(=C(\F)C#N)C1.
What is the InChIKey of (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
The InChIKey is UTWRYOYGZXIKDO-QBFSEMIESA-N. The full InChI is InChI=1S/C15H18FN3/c1-15(2)7-11(13(16)10-18)12(9-17)14(8-15)19-5-3-4-6-19/h3-8H2,1-2H3/b13-11-.
What are the key properties of (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile?
(6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[cyano(fluoro)methylidene]-4,4-dimethyl-2-pyrrolidin-1-ylcyclohexene-1-carbonitrile is sourced from PubChem (CID 164763189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).