carbonyl dichloride;N-methylmethanamine

C3H7Cl2NO — CID 157447004

IUPACcarbonyl dichloride;N-methylmethanamine
SMILESCNC.O=C(Cl)Cl
InChIInChI=1S/C2H7N.CCl2O/c1-3-2;2-1(3)4/h3H,1-2H3;
InChIKeyBSIOKXNNEUIOMT-UHFFFAOYSA-N
MW144.00 g/mol
LogP1.42
Rot. Bonds

About carbonyl dichloride;N-methylmethanamine

carbonyl dichloride;N-methylmethanamine (PubChem CID 157447004) has the molecular formula C3H7Cl2NO and a molecular weight of 144.00 g/mol. Its IUPAC name is carbonyl dichloride;N-methylmethanamine.

Molecular Properties

Compound Namecarbonyl dichloride;N-methylmethanamine
PubChem CID157447004
Molecular FormulaC3H7Cl2NO
Molecular Weight144.00 g/mol
Exact Mass142.99
IUPAC Namecarbonyl dichloride;N-methylmethanamine
SMILESCNC.O=C(Cl)Cl
InChIInChI=1S/C2H7N.CCl2O/c1-3-2;2-1(3)4/h3H,1-2H3;
InChIKeyBSIOKXNNEUIOMT-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.00
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;N-methylmethanamine?
The IUPAC name of carbonyl dichloride;N-methylmethanamine (CID 157447004) is carbonyl dichloride;N-methylmethanamine.
What is the SMILES notation for carbonyl dichloride;N-methylmethanamine?
The canonical SMILES for carbonyl dichloride;N-methylmethanamine is CNC.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;N-methylmethanamine?
The InChIKey is BSIOKXNNEUIOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CCl2O/c1-3-2;2-1(3)4/h3H,1-2H3;.
What are the key properties of carbonyl dichloride;N-methylmethanamine?
carbonyl dichloride;N-methylmethanamine has a molecular weight of 144.00 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;N-methylmethanamine is sourced from PubChem (CID 157447004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).