(Z)-2-iodobut-2-enenitrile

C4H4IN — CID 10845441

IUPAC(Z)-2-iodobut-2-enenitrile
SMILESC/C=C(\I)C#N
InChIInChI=1S/C4H4IN/c1-2-4(5)3-6/h2H,1H3/b4-2-
InChIKeyBRJMBFIANRIURC-RQOWECAXSA-N
MW192.99 g/mol
LogP1.85
Rot. Bonds

About (Z)-2-iodobut-2-enenitrile

(Z)-2-iodobut-2-enenitrile (PubChem CID 10845441) has the molecular formula C4H4IN and a molecular weight of 192.99 g/mol. Its IUPAC name is (Z)-2-iodobut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-iodobut-2-enenitrile
PubChem CID10845441
Molecular FormulaC4H4IN
Molecular Weight192.99 g/mol
Exact Mass192.94
IUPAC Name(Z)-2-iodobut-2-enenitrile
SMILESC/C=C(\I)C#N
InChIInChI=1S/C4H4IN/c1-2-4(5)3-6/h2H,1H3/b4-2-
InChIKeyBRJMBFIANRIURC-RQOWECAXSA-N
XLogP1.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodoprop-1-en-1-amine
CID 141312363
ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
3-[(Z)-2-cyano-2-iodoethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 89251926
N-[(Z)-1-cyanoprop-1-enyl]formamide
CID 21160166
methane;oxalonitrile;prop-1-ene
CID 174445104
(E)-2-propan-2-ylbut-2-enenitrile
CID 145155046
2-butylidene-3-ethylidenebutanedinitrile
CID 54047697
(Z)-2-(sulfanylmethyl)but-2-enenitrile
CID 126728180
2-bromopenta-2,3-dienenitrile
CID 174802080
(E)-2-cyanobut-2-enamide
CID 88621085
1-fluoro-1-iodoprop-1-ene
CID 175825519
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodobut-2-enenitrile?
The IUPAC name of (Z)-2-iodobut-2-enenitrile (CID 10845441) is (Z)-2-iodobut-2-enenitrile.
What is the SMILES notation for (Z)-2-iodobut-2-enenitrile?
The canonical SMILES for (Z)-2-iodobut-2-enenitrile is C/C=C(\I)C#N.
What is the InChIKey of (Z)-2-iodobut-2-enenitrile?
The InChIKey is BRJMBFIANRIURC-RQOWECAXSA-N. The full InChI is InChI=1S/C4H4IN/c1-2-4(5)3-6/h2H,1H3/b4-2-.
What are the key properties of (Z)-2-iodobut-2-enenitrile?
(Z)-2-iodobut-2-enenitrile has a molecular weight of 192.99 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodobut-2-enenitrile is sourced from PubChem (CID 10845441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).