N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine

C7H10ClN — CID 123872474

IUPACN-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=C(Cl)C(=C)C
InChIInChI=1S/C7H10ClN/c1-5(2)7(8)6(3)9-4/h1,4H2,2-3H3
InChIKeyNHJNOOFDWZIWPA-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine

N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine (PubChem CID 123872474) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine
PubChem CID123872474
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine
SMILESC=NC(C)=C(Cl)C(=C)C
InChIInChI=1S/C7H10ClN/c1-5(2)7(8)6(3)9-4/h1,4H2,2-3H3
InChIKeyNHJNOOFDWZIWPA-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
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 N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine (CID 123872474) is N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine is C=NC(C)=C(Cl)C(=C)C.
What is the InChIKey of N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine?
The InChIKey is NHJNOOFDWZIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(2)7(8)6(3)9-4/h1,4H2,2-3H3.
What are the key properties of N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine?
N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine is sourced from PubChem (CID 123872474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).