(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine

C6H8ClN — CID 142082762

IUPAC(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine
SMILESC=C(Cl)/C=C\C=N\C
InChIInChI=1S/C6H8ClN/c1-6(7)4-3-5-8-2/h3-5H,1H2,2H3/b4-3-,8-5+
InChIKeyVWWRWDHEYKOUFE-HMRFFJRGSA-N
MW129.59 g/mol
LogP2.00
Rot. Bonds2

About (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine

(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine (PubChem CID 142082762) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine
PubChem CID142082762
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine
SMILESC=C(Cl)/C=C\C=N\C
InChIInChI=1S/C6H8ClN/c1-6(7)4-3-5-8-2/h3-5H,1H2,2H3/b4-3-,8-5+
InChIKeyVWWRWDHEYKOUFE-HMRFFJRGSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine (CID 142082762) is (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine is C=C(Cl)/C=C\C=N\C.
What is the InChIKey of (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine?
The InChIKey is VWWRWDHEYKOUFE-HMRFFJRGSA-N. The full InChI is InChI=1S/C6H8ClN/c1-6(7)4-3-5-8-2/h3-5H,1H2,2H3/b4-3-,8-5+.
What are the key properties of (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine?
(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine has a molecular weight of 129.59 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142082762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).