N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine

C9H12ClN — CID 155274371

IUPACN-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\C=C(/C)Cl)C(=C)C
InChIInChI=1S/C9H12ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-6H,1-2H2,3-4H3/b8-6+,11-9+
InChIKeyCAQLNBIWIDWVIM-ZOIFJEAISA-N
MW169.65 g/mol
LogP3.29
Rot. Bonds3

About N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine

N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine (PubChem CID 155274371) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine.

Molecular Properties

Compound NameN-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
PubChem CID155274371
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC NameN-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
SMILESC=C/C(=N\C=C(/C)Cl)C(=C)C
InChIInChI=1S/C9H12ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-6H,1-2H2,3-4H3/b8-6+,11-9+
InChIKeyCAQLNBIWIDWVIM-ZOIFJEAISA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The IUPAC name of N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine (CID 155274371) is N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine.
What is the SMILES notation for N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The canonical SMILES for N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine is C=C/C(=N\C=C(/C)Cl)C(=C)C.
What is the InChIKey of N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
The InChIKey is CAQLNBIWIDWVIM-ZOIFJEAISA-N. The full InChI is InChI=1S/C9H12ClN/c1-5-9(7(2)3)11-6-8(4)10/h5-6H,1-2H2,3-4H3/b8-6+,11-9+.
What are the key properties of N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine?
N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine has a molecular weight of 169.65 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine is sourced from PubChem (CID 155274371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).