(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine

C12H14ClNO — CID 89363939

IUPAC(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine
SMILES[H]/N=C(\C=C(\CC)OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-3-11(15-2)8-12(14)9-4-6-10(13)7-5-9/h4-8,14H,3H2,1-2H3/b11-8-,14-12+
InChIKeyDZKUMKVVXDDUEQ-RIUSXJRMSA-N
MW223.70 g/mol
LogP3.65
Rot. Bonds4

About (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine

(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine (PubChem CID 89363939) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine
PubChem CID89363939
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine
SMILES[H]/N=C(\C=C(\CC)OC)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c1-3-11(15-2)8-12(14)9-4-6-10(13)7-5-9/h4-8,14H,3H2,1-2H3/b11-8-,14-12+
InChIKeyDZKUMKVVXDDUEQ-RIUSXJRMSA-N
XLogP3.65
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine (CID 89363939) is (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine is [H]/N=C(\C=C(\CC)OC)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine?
The InChIKey is DZKUMKVVXDDUEQ-RIUSXJRMSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-11(15-2)8-12(14)9-4-6-10(13)7-5-9/h4-8,14H,3H2,1-2H3/b11-8-,14-12+.
What are the key properties of (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine?
(Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine has a molecular weight of 223.70 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3-methoxypent-2-en-1-imine is sourced from PubChem (CID 89363939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).