N-(chloromethyl)-N-methylformamide

C3H6ClNO — CID 11789147

IUPACN-(chloromethyl)-N-methylformamide
SMILESCN(C=O)CCl
InChIInChI=1S/C3H6ClNO/c1-5(2-4)3-6/h3H,2H2,1H3
InChIKeySFOPHQUYNPBUPF-UHFFFAOYSA-N
MW107.54 g/mol
LogP0.27
Rot. Bonds2

About N-(chloromethyl)-N-methylformamide

N-(chloromethyl)-N-methylformamide (PubChem CID 11789147) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is N-(chloromethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(chloromethyl)-N-methylformamide
PubChem CID11789147
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC NameN-(chloromethyl)-N-methylformamide
SMILESCN(C=O)CCl
InChIInChI=1S/C3H6ClNO/c1-5(2-4)3-6/h3H,2H2,1H3
InChIKeySFOPHQUYNPBUPF-UHFFFAOYSA-N
XLogP0.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methylformamide?
The IUPAC name of N-(chloromethyl)-N-methylformamide (CID 11789147) is N-(chloromethyl)-N-methylformamide.
What is the SMILES notation for N-(chloromethyl)-N-methylformamide?
The canonical SMILES for N-(chloromethyl)-N-methylformamide is CN(C=O)CCl.
What is the InChIKey of N-(chloromethyl)-N-methylformamide?
The InChIKey is SFOPHQUYNPBUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO/c1-5(2-4)3-6/h3H,2H2,1H3.
What are the key properties of N-(chloromethyl)-N-methylformamide?
N-(chloromethyl)-N-methylformamide has a molecular weight of 107.54 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methylformamide is sourced from PubChem (CID 11789147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).