(4Z)-2-chlorohepta-1,4-dien-3-imine

C7H10ClN — CID 90748717

IUPAC(4Z)-2-chlorohepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C\CC)C(=C)Cl
InChIInChI=1S/C7H10ClN/c1-3-4-5-7(9)6(2)8/h4-5,9H,2-3H2,1H3/b5-4-,9-7-
InChIKeyXWEHEWZEPDOVDS-PHSHQRSZSA-N
MW143.62 g/mol
LogP2.72
Rot. Bonds3

About (4Z)-2-chlorohepta-1,4-dien-3-imine

(4Z)-2-chlorohepta-1,4-dien-3-imine (PubChem CID 90748717) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (4Z)-2-chlorohepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-2-chlorohepta-1,4-dien-3-imine
PubChem CID90748717
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(4Z)-2-chlorohepta-1,4-dien-3-imine
SMILES[H]/N=C(/C=C\CC)C(=C)Cl
InChIInChI=1S/C7H10ClN/c1-3-4-5-7(9)6(2)8/h4-5,9H,2-3H2,1H3/b5-4-,9-7-
InChIKeyXWEHEWZEPDOVDS-PHSHQRSZSA-N
XLogP2.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloro-1,4-benzoquinone diimine
CID 53437151
Cyclohexa-2,5-dien-1-iminium chloride
CID 175647522
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Iminopent-2-enimidoyl chloride
CID 76800601
(Z)-pent-3-en-2-imine
CID 90707502
3-Chloropent-2-enimidoyl chloride
CID 90838818
(4Z)-hepta-1,4-dien-3-imine
CID 90857061
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
6-Chloroocta-4,6-dien-3-imine
CID 91089774
(E)-4-chloropent-3-en-2-imine
CID 91151084
(E)-hex-3-en-2-imine
CID 91212291
(2Z,5Z)-hepta-2,5-dien-4-imine
CID 91289799

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-chlorohepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-2-chlorohepta-1,4-dien-3-imine (CID 90748717) is (4Z)-2-chlorohepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-2-chlorohepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-2-chlorohepta-1,4-dien-3-imine is [H]/N=C(/C=C\CC)C(=C)Cl.
What is the InChIKey of (4Z)-2-chlorohepta-1,4-dien-3-imine?
The InChIKey is XWEHEWZEPDOVDS-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-4-5-7(9)6(2)8/h4-5,9H,2-3H2,1H3/b5-4-,9-7-.
What are the key properties of (4Z)-2-chlorohepta-1,4-dien-3-imine?
(4Z)-2-chlorohepta-1,4-dien-3-imine has a molecular weight of 143.62 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-chlorohepta-1,4-dien-3-imine is sourced from PubChem (CID 90748717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).