N,N-dimethylformamide;methyl carbonochloridate

C5H10ClNO3 — CID 87671064

IUPACN,N-dimethylformamide;methyl carbonochloridate
SMILESCN(C)C=O.COC(=O)Cl
InChIInChI=1S/C3H7NO.C2H3ClO2/c1-4(2)3-5;1-5-2(3)4/h3H,1-2H3;1H3
InChIKeyGYDWCHYNSVGPFS-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.70
Rot. Bonds1

About N,N-dimethylformamide;methyl carbonochloridate

N,N-dimethylformamide;methyl carbonochloridate (PubChem CID 87671064) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is N,N-dimethylformamide;methyl carbonochloridate.

Molecular Properties

Compound NameN,N-dimethylformamide;methyl carbonochloridate
PubChem CID87671064
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC NameN,N-dimethylformamide;methyl carbonochloridate
SMILESCN(C)C=O.COC(=O)Cl
InChIInChI=1S/C3H7NO.C2H3ClO2/c1-4(2)3-5;1-5-2(3)4/h3H,1-2H3;1H3
InChIKeyGYDWCHYNSVGPFS-UHFFFAOYSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 12631503
CID 12631503
CID 15759424
CID 15759424
CID 12579456
CID 12579456
CID 20522240
CID 20522240
CID 87909545
CID 87909545
CID 88119309
CID 88119309
CID 154138873
CID 154138873
CID 172859418
CID 172859418
CID 175558395
CID 175558395
CID 20032876
CID 20032876

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;methyl carbonochloridate?
The IUPAC name of N,N-dimethylformamide;methyl carbonochloridate (CID 87671064) is N,N-dimethylformamide;methyl carbonochloridate.
What is the SMILES notation for N,N-dimethylformamide;methyl carbonochloridate?
The canonical SMILES for N,N-dimethylformamide;methyl carbonochloridate is CN(C)C=O.COC(=O)Cl.
What is the InChIKey of N,N-dimethylformamide;methyl carbonochloridate?
The InChIKey is GYDWCHYNSVGPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H3ClO2/c1-4(2)3-5;1-5-2(3)4/h3H,1-2H3;1H3.
What are the key properties of N,N-dimethylformamide;methyl carbonochloridate?
N,N-dimethylformamide;methyl carbonochloridate has a molecular weight of 167.59 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;methyl carbonochloridate is sourced from PubChem (CID 87671064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).