(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile

C11H15FN2 — CID 168972642

IUPAC(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile
SMILESCC/C=C(C)/N=C(C)/C(F)=C(\C)C#N
InChIInChI=1S/C11H15FN2/c1-5-6-9(3)14-10(4)11(12)8(2)7-13/h6H,5H2,1-4H3/b9-6+,11-8-,14-10+
InChIKeyAFAPKGIMNGAWHL-FXSSRIRVSA-N
MW194.25 g/mol
LogP3.53
Rot. Bonds3

About (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile

(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile (PubChem CID 168972642) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile
PubChem CID168972642
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile
SMILESCC/C=C(C)/N=C(C)/C(F)=C(\C)C#N
InChIInChI=1S/C11H15FN2/c1-5-6-9(3)14-10(4)11(12)8(2)7-13/h6H,5H2,1-4H3/b9-6+,11-8-,14-10+
InChIKeyAFAPKGIMNGAWHL-FXSSRIRVSA-N
XLogP3.53
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile
CID 166905225
(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide
CID 170098114
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 168972427
(E)-5,5,5-trifluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile
CID 168972736
(E)-4-methyl-2-propan-2-ylidene-5-prop-1-en-2-yliminohex-3-enenitrile;propane
CID 142562020
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide;ethane
CID 162686706
(Z)-N-[(Z)-1-cyanoprop-1-enyl]but-2-enimidoyl cyanide
CID 162686707
(2Z)-2-(but-3-en-2-ylideneamino)-4-methylpenta-2,4-dienenitrile
CID 166951005
N-[(Z)-4-methylpent-2-en-3-yl]prop-2-enimidoyl cyanide
CID 170141959
4,4,5-Trimethylazepine-2,7-dicarbonitrile
CID 174258982
2-Methyl-4-(3-methyl-2H-aziren-2-ylidene)pent-2-enenitrile
CID 71379504
(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
CID 91982539

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile?
The IUPAC name of (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile (CID 168972642) is (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile.
What is the SMILES notation for (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile?
The canonical SMILES for (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile is CC/C=C(C)/N=C(C)/C(F)=C(\C)C#N.
What is the InChIKey of (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile?
The InChIKey is AFAPKGIMNGAWHL-FXSSRIRVSA-N. The full InChI is InChI=1S/C11H15FN2/c1-5-6-9(3)14-10(4)11(12)8(2)7-13/h6H,5H2,1-4H3/b9-6+,11-8-,14-10+.
What are the key properties of (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile?
(Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile has a molecular weight of 194.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-methyl-4-[(E)-pent-2-en-2-yl]iminopent-2-enenitrile is sourced from PubChem (CID 168972642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).