(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile

C8H7FN2 — CID 146499045

IUPAC(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
SMILESCn1cccc1/C(C#N)=C/F
InChIInChI=1S/C8H7FN2/c1-11-4-2-3-8(11)7(5-9)6-10/h2-5H,1H3/b7-5+
InChIKeyWRKIMKQZZDETHB-FNORWQNLSA-N
MW150.16 g/mol
LogP1.86
Rot. Bonds1

About (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile

(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile (PubChem CID 146499045) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
PubChem CID146499045
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
SMILESCn1cccc1/C(C#N)=C/F
InChIInChI=1S/C8H7FN2/c1-11-4-2-3-8(11)7(5-9)6-10/h2-5H,1H3/b7-5+
InChIKeyWRKIMKQZZDETHB-FNORWQNLSA-N
XLogP1.86
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine-2-carbonitrile
CID 7522
Pyridine-2-acetonitrile
CID 75959
Pyrrole-2-carbonitrile
CID 138277
1-Methylpyrrole-2-carbonitrile
CID 2064111
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207
2-(Difluoromethyl)isonicotinonitrile
CID 75406284
6-Methylpyridine-3-carbonitrile
CID 281995
1,5-Dimethylpyrrole-2-carbonitrile
CID 91812
1,2-Dimethyl-1H-pyrrole
CID 3826198
1H-Pyrrole-2-acetonitrile, 1-methyl-
CID 90501
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]prop-2-yn-1-ylamine
CID 16110302
2-(1H-pyrrol-2-ylmethylene)malononitrile
CID 2795373

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile (CID 146499045) is (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile is Cn1cccc1/C(C#N)=C/F.
What is the InChIKey of (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile?
The InChIKey is WRKIMKQZZDETHB-FNORWQNLSA-N. The full InChI is InChI=1S/C8H7FN2/c1-11-4-2-3-8(11)7(5-9)6-10/h2-5H,1H3/b7-5+.
What are the key properties of (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile?
(Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile has a molecular weight of 150.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-(1-methylpyrrol-2-yl)prop-2-enenitrile is sourced from PubChem (CID 146499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).