N-formyl-N-methylformamide

C3H5NO2 — CID 533882

IUPACN-formyl-N-methylformamide
SMILESCN(C=O)C=O
InChIInChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3
InChIKeyQWOKUXNYCLUKMH-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.77
Rot. Bonds2

About N-formyl-N-methylformamide

N-formyl-N-methylformamide (PubChem CID 533882) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is N-formyl-N-methylformamide.

Molecular Properties

Compound NameN-formyl-N-methylformamide
PubChem CID533882
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC NameN-formyl-N-methylformamide
SMILESCN(C=O)C=O
InChIInChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3
InChIKeyQWOKUXNYCLUKMH-UHFFFAOYSA-N
XLogP-0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methylformamide?
The IUPAC name of N-formyl-N-methylformamide (CID 533882) is N-formyl-N-methylformamide.
What is the SMILES notation for N-formyl-N-methylformamide?
The canonical SMILES for N-formyl-N-methylformamide is CN(C=O)C=O.
What is the InChIKey of N-formyl-N-methylformamide?
The InChIKey is QWOKUXNYCLUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3.
What are the key properties of N-formyl-N-methylformamide?
N-formyl-N-methylformamide has a molecular weight of 87.08 g/mol, XLogP of -0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methylformamide is sourced from PubChem (CID 533882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).