cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide

C12H23ClN2O4 — CID 161097288

IUPACcyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCNOC.CON(C)C(=O)C1CC1.O=C(Cl)C1CC1
InChIInChI=1S/C6H11NO2.C4H5ClO.C2H7NO/c1-7(9-2)6(8)5-3-4-5;5-4(6)3-1-2-3;1-3-4-2/h5H,3-4H2,1-2H3;3H,1-2H2;3H,1-2H3
InChIKeyUHYPFAMIHOCJTB-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.35
Rot. Bonds4

About cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide

cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide (PubChem CID 161097288) has the molecular formula C12H23ClN2O4 and a molecular weight of 294.78 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound Namecyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide
PubChem CID161097288
Molecular FormulaC12H23ClN2O4
Molecular Weight294.78 g/mol
Exact Mass294.13
IUPAC Namecyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCNOC.CON(C)C(=O)C1CC1.O=C(Cl)C1CC1
InChIInChI=1S/C6H11NO2.C4H5ClO.C2H7NO/c1-7(9-2)6(8)5-3-4-5;5-4(6)3-1-2-3;1-3-4-2/h5H,3-4H2,1-2H3;3H,1-2H2;3H,1-2H3
InChIKeyUHYPFAMIHOCJTB-UHFFFAOYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide 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

cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride
CID 161215070
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 141320364
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
CID 87114483
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
N-methoxy-N-methylcyclopent-3-ene-1-carboxamide
CID 12990999
N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;hydrochloride
CID 159697689
N-methoxy-N,4-dimethylpiperidine-2-carboxamide
CID 114423776
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide?
The IUPAC name of cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide (CID 161097288) is cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide.
What is the SMILES notation for cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide?
The canonical SMILES for cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide is CNOC.CON(C)C(=O)C1CC1.O=C(Cl)C1CC1.
What is the InChIKey of cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide?
The InChIKey is UHYPFAMIHOCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H5ClO.C2H7NO/c1-7(9-2)6(8)5-3-4-5;5-4(6)3-1-2-3;1-3-4-2/h5H,3-4H2,1-2H3;3H,1-2H2;3H,1-2H3.
What are the key properties of cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide?
cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 161097288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).