(E)-2-chloro-4-iminopent-2-enenitrile

C5H5ClN2 — CID 143378313

IUPAC(E)-2-chloro-4-iminopent-2-enenitrile
SMILES[H]/N=C(C)/C=C(/Cl)C#N
InChIInChI=1S/C5H5ClN2/c1-4(8)2-5(6)3-7/h2,8H,1H3/b5-2+,8-4+
InChIKeyDGEVHYWNYQRWGD-OFRXYAEISA-N
MW128.56 g/mol
LogP1.67
Rot. Bonds1

About (E)-2-chloro-4-iminopent-2-enenitrile

(E)-2-chloro-4-iminopent-2-enenitrile (PubChem CID 143378313) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is (E)-2-chloro-4-iminopent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-chloro-4-iminopent-2-enenitrile
PubChem CID143378313
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name(E)-2-chloro-4-iminopent-2-enenitrile
SMILES[H]/N=C(C)/C=C(/Cl)C#N
InChIInChI=1S/C5H5ClN2/c1-4(8)2-5(6)3-7/h2,8H,1H3/b5-2+,8-4+
InChIKeyDGEVHYWNYQRWGD-OFRXYAEISA-N
XLogP1.67
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.67
H-Bond Donors ≤ 51
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

(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Iminopent-2-enimidoyl chloride
CID 76800601
[(Z)-5-chloro-5-iminopent-3-en-2-ylidene]azanium
CID 141989637
(E)-3-chloro-4-iminopent-2-enimidoyl chloride
CID 144816644
(E)-3-chlorohex-3-ene-2,5-diimine
CID 176561081

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-4-iminopent-2-enenitrile?
The IUPAC name of (E)-2-chloro-4-iminopent-2-enenitrile (CID 143378313) is (E)-2-chloro-4-iminopent-2-enenitrile.
What is the SMILES notation for (E)-2-chloro-4-iminopent-2-enenitrile?
The canonical SMILES for (E)-2-chloro-4-iminopent-2-enenitrile is [H]/N=C(C)/C=C(/Cl)C#N.
What is the InChIKey of (E)-2-chloro-4-iminopent-2-enenitrile?
The InChIKey is DGEVHYWNYQRWGD-OFRXYAEISA-N. The full InChI is InChI=1S/C5H5ClN2/c1-4(8)2-5(6)3-7/h2,8H,1H3/b5-2+,8-4+.
What are the key properties of (E)-2-chloro-4-iminopent-2-enenitrile?
(E)-2-chloro-4-iminopent-2-enenitrile has a molecular weight of 128.56 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-4-iminopent-2-enenitrile is sourced from PubChem (CID 143378313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).