carbonochloridic acid;N,N-dimethylformamide

C4H8ClNO3 — CID 175558395

IUPACcarbonochloridic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(O)Cl
InChIInChI=1S/C3H7NO.CHClO2/c1-4(2)3-5;2-1(3)4/h3H,1-2H3;(H,3,4)
InChIKeyMDQHWQJXASUXHU-UHFFFAOYSA-N
MW153.56 g/mol
LogP0.61
Rot. Bonds1

About carbonochloridic acid;N,N-dimethylformamide

carbonochloridic acid;N,N-dimethylformamide (PubChem CID 175558395) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is carbonochloridic acid;N,N-dimethylformamide.

Molecular Properties

Compound Namecarbonochloridic acid;N,N-dimethylformamide
PubChem CID175558395
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Namecarbonochloridic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(O)Cl
InChIInChI=1S/C3H7NO.CHClO2/c1-4(2)3-5;2-1(3)4/h3H,1-2H3;(H,3,4)
InChIKeyMDQHWQJXASUXHU-UHFFFAOYSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbonochloridic acid;N,N-dimethylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;N,N-dimethylformamide?
The IUPAC name of carbonochloridic acid;N,N-dimethylformamide (CID 175558395) is carbonochloridic acid;N,N-dimethylformamide.
What is the SMILES notation for carbonochloridic acid;N,N-dimethylformamide?
The canonical SMILES for carbonochloridic acid;N,N-dimethylformamide is CN(C)C=O.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;N,N-dimethylformamide?
The InChIKey is MDQHWQJXASUXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CHClO2/c1-4(2)3-5;2-1(3)4/h3H,1-2H3;(H,3,4).
What are the key properties of carbonochloridic acid;N,N-dimethylformamide?
carbonochloridic acid;N,N-dimethylformamide has a molecular weight of 153.56 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;N,N-dimethylformamide is sourced from PubChem (CID 175558395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).