N,N-dimethylformamide

C3H7NO — CID 6228

IUPACN,N-dimethylformamide
SMILESCN(C)C=O
InChIInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKeyZMXDDKWLCZADIW-UHFFFAOYSA-N
MW73.09 g/mol
LogP-0.30
Rot. Bonds1

About N,N-dimethylformamide

N,N-dimethylformamide (PubChem CID 6228) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is N,N-dimethylformamide.

Molecular Properties

Compound NameN,N-dimethylformamide
PubChem CID6228
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC NameN,N-dimethylformamide
SMILESCN(C)C=O
InChIInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKeyZMXDDKWLCZADIW-UHFFFAOYSA-N
XLogP-0.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-dimethylformamide?
The IUPAC name of N,N-dimethylformamide (CID 6228) is N,N-dimethylformamide.
What is the SMILES notation for N,N-dimethylformamide?
The canonical SMILES for N,N-dimethylformamide is CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide?
The InChIKey is ZMXDDKWLCZADIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3.
What are the key properties of N,N-dimethylformamide?
N,N-dimethylformamide has a molecular weight of 73.09 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide is sourced from PubChem (CID 6228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).