formyl chloride;N-methylmethanamine

C3H8ClNO — CID 159076445

IUPACformyl chloride;N-methylmethanamine
SMILESCNC.O=CCl
InChIInChI=1S/C2H7N.CHClO/c1-3-2;2-1-3/h3H,1-2H3;1H
InChIKeyKAHRXKCDXMXKGW-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.25
Rot. Bonds

About formyl chloride;N-methylmethanamine

formyl chloride;N-methylmethanamine (PubChem CID 159076445) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is formyl chloride;N-methylmethanamine.

Molecular Properties

Compound Nameformyl chloride;N-methylmethanamine
PubChem CID159076445
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Nameformyl chloride;N-methylmethanamine
SMILESCNC.O=CCl
InChIInChI=1S/C2H7N.CHClO/c1-3-2;2-1-3/h3H,1-2H3;1H
InChIKeyKAHRXKCDXMXKGW-UHFFFAOYSA-N
XLogP0.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.25
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'}

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Related Compounds

methanethioyl chloride;N-methylmethanamine
CID 175343691
formyl chloride;propane
CID 160862767
methyl formate;N-methylmethanamine
CID 157043378
formyl chloride;2-methylpropan-2-amine
CID 175033696
N-methylmethanamine
CID 674
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
carbonyl dichloride;N-methylmethanamine
CID 157447004
bis(N-methylmethanamine);phosphoryl trichloride
CID 87999351
N-methylformamide;titanium
CID 175536868
calcium;formic acid;N-methylmethanamine;diformate
CID 174827406
bis(N-methylmethanamine);tungsten
CID 160565372
N-methylmethanamine;titanium
CID 174706971

Frequently Asked Questions

What is the IUPAC name of formyl chloride;N-methylmethanamine?
The IUPAC name of formyl chloride;N-methylmethanamine (CID 159076445) is formyl chloride;N-methylmethanamine.
What is the SMILES notation for formyl chloride;N-methylmethanamine?
The canonical SMILES for formyl chloride;N-methylmethanamine is CNC.O=CCl.
What is the InChIKey of formyl chloride;N-methylmethanamine?
The InChIKey is KAHRXKCDXMXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CHClO/c1-3-2;2-1-3/h3H,1-2H3;1H.
What are the key properties of formyl chloride;N-methylmethanamine?
formyl chloride;N-methylmethanamine has a molecular weight of 109.56 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;N-methylmethanamine is sourced from PubChem (CID 159076445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).