methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate

C10H10ClNO3 — CID 141001431

IUPACmethyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate
SMILESCON=C(OC)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-14-10(12-15-2)8-5-3-4-7(6-8)9(11)13/h3-6H,1-2H3
InChIKeyQPDJPSCAIIESKP-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.02
Rot. Bonds3

About methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate

methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate (PubChem CID 141001431) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate
PubChem CID141001431
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate
SMILESCON=C(OC)c1cccc(C(=O)Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-14-10(12-15-2)8-5-3-4-7(6-8)9(11)13/h3-6H,1-2H3
InChIKeyQPDJPSCAIIESKP-UHFFFAOYSA-N
XLogP2.02
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate 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

methyl 3-[(E)-C-chloro-N-hydroxycarbonimidoyl]benzoate
CID 87739837
CID 70265363
CID 70265363
CID 159558349
CID 159558349
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
CID 12046535
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
methyl 3-acetylbenzoate
CID 15094405
3-[amino(methoxy)phosphoryl]benzoyl chloride
CID 89422757

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate?
The IUPAC name of methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate (CID 141001431) is methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate.
What is the SMILES notation for methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate?
The canonical SMILES for methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate is CON=C(OC)c1cccc(C(=O)Cl)c1.
What is the InChIKey of methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate?
The InChIKey is QPDJPSCAIIESKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-10(12-15-2)8-5-3-4-7(6-8)9(11)13/h3-6H,1-2H3.
What are the key properties of methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate?
methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate has a molecular weight of 227.65 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbonochloridoyl-N-methoxybenzenecarboximidate is sourced from PubChem (CID 141001431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).