azane;methyl carbonochloridate

C2H6ClNO2 — CID 126567257

IUPACazane;methyl carbonochloridate
SMILESCOC(=O)Cl.N
InChIInChI=1S/C2H3ClO2.H3N/c1-5-2(3)4;/h1H3;1H3
InChIKeyJTSNCMYVAPKKKA-UHFFFAOYSA-N
MW111.53 g/mol
LogP1.15
Rot. Bonds

About azane;methyl carbonochloridate

azane;methyl carbonochloridate (PubChem CID 126567257) has the molecular formula C2H6ClNO2 and a molecular weight of 111.53 g/mol. Its IUPAC name is azane;methyl carbonochloridate.

Molecular Properties

Compound Nameazane;methyl carbonochloridate
PubChem CID126567257
Molecular FormulaC2H6ClNO2
Molecular Weight111.53 g/mol
Exact Mass111.01
IUPAC Nameazane;methyl carbonochloridate
SMILESCOC(=O)Cl.N
InChIInChI=1S/C2H3ClO2.H3N/c1-5-2(3)4;/h1H3;1H3
InChIKeyJTSNCMYVAPKKKA-UHFFFAOYSA-N
XLogP1.15
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.53
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542
2-hydroxyethyl(trimethyl)azanium;methyl carbonochloridate
CID 174918348
3-methoxybut-2-enoyl chloride
CID 54557484
carbonyl dichloride;N-methylmethanamine
CID 157447004
methyl boranylformate
CID 4077688
carbonochloridoyl carbonochloridate
CID 15856549
dimethyl oxalate
CID 11120
methyl acetate;ruthenium
CID 160799101
methoxymethyl carbonochloridate
CID 21418650
trimethyl 2-chloroethene-1,1,2-tricarboxylate
CID 10799846
3-chloro-4-methoxypent-3-en-2-one
CID 522222
dichloromethane;methyl hydrogen carbonate
CID 160547489

Frequently Asked Questions

What is the IUPAC name of azane;methyl carbonochloridate?
The IUPAC name of azane;methyl carbonochloridate (CID 126567257) is azane;methyl carbonochloridate.
What is the SMILES notation for azane;methyl carbonochloridate?
The canonical SMILES for azane;methyl carbonochloridate is COC(=O)Cl.N.
What is the InChIKey of azane;methyl carbonochloridate?
The InChIKey is JTSNCMYVAPKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.H3N/c1-5-2(3)4;/h1H3;1H3.
What are the key properties of azane;methyl carbonochloridate?
azane;methyl carbonochloridate has a molecular weight of 111.53 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl carbonochloridate is sourced from PubChem (CID 126567257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).