(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal

C6H8ClNO2 — CID 141216845

IUPAC(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal
SMILESC/C(C=O)=N/OC/C=C/Cl
InChIInChI=1S/C6H8ClNO2/c1-6(5-9)8-10-4-2-3-7/h2-3,5H,4H2,1H3/b3-2+,8-6-
InChIKeyLJSLATMDDMHCDP-CYFJSKJZSA-N
MW161.59 g/mol
LogP1.33
Rot. Bonds4

About (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal

(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal (PubChem CID 141216845) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal.

Molecular Properties

Compound Name(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal
PubChem CID141216845
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal
SMILESC/C(C=O)=N/OC/C=C/Cl
InChIInChI=1S/C6H8ClNO2/c1-6(5-9)8-10-4-2-3-7/h2-3,5H,4H2,1H3/b3-2+,8-6-
InChIKeyLJSLATMDDMHCDP-CYFJSKJZSA-N
XLogP1.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-3-chloroprop-2-enoxy]acetamide
CID 10888077
[(E)-3-chloroprop-2-enyl] formate
CID 19841665
2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)-3-hydroxycyclohex-2-en-1-one
CID 135512772
2-[(Z)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-prop-2-enylcyclohex-2-en-1-one
CID 137196060
(5R)-2-[(Z)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-prop-2-enylcyclohex-2-en-1-one
CID 136733865
2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(oxan-4-yl)cyclohexane-1,3-dione
CID 10065932
(5R)-2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-(oxan-4-yl)cyclohex-2-en-1-one
CID 137091140
2-[(Z)-N-(3-chloroprop-2-enoxy)-C-ethylcarbonimidoyl]-5-(1-methylpyrazol-4-yl)cyclohexane-1,3-dione
CID 86743339
(5R)-2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-[(2R)-2-ethylsulfanylpropyl]-3-hydroxycyclohex-2-en-1-one
CID 137078095
(5R)-2-[(Z)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-[(2S)-2-ethylsulfanylpropyl]-3-hydroxycyclohex-2-en-1-one
CID 136783603
O-[(Z)-3-chloroprop-2-enyl]hydroxylamine
CID 13282637
2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)cyclohex-2-en-1-one
CID 20734820

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal?
The IUPAC name of (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal (CID 141216845) is (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal.
What is the SMILES notation for (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal?
The canonical SMILES for (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal is C/C(C=O)=N/OC/C=C/Cl.
What is the InChIKey of (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal?
The InChIKey is LJSLATMDDMHCDP-CYFJSKJZSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-6(5-9)8-10-4-2-3-7/h2-3,5H,4H2,1H3/b3-2+,8-6-.
What are the key properties of (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal?
(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal has a molecular weight of 161.59 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal is sourced from PubChem (CID 141216845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).