N-(ethylideneamino)-N-methylformamide

C4H8N2O — CID 27932

IUPACN-(ethylideneamino)-N-methylformamide
SMILESCC=NN(C)C=O
InChIInChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3
InChIKeyIMAGWKUTFZRWSB-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.08
Rot. Bonds2

About N-(ethylideneamino)-N-methylformamide

N-(ethylideneamino)-N-methylformamide (PubChem CID 27932) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(ethylideneamino)-N-methylformamide.

Molecular Properties

Compound NameN-(ethylideneamino)-N-methylformamide
PubChem CID27932
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(ethylideneamino)-N-methylformamide
SMILESCC=NN(C)C=O
InChIInChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3
InChIKeyIMAGWKUTFZRWSB-UHFFFAOYSA-N
XLogP0.08
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)-N-methylformamide?
The IUPAC name of N-(ethylideneamino)-N-methylformamide (CID 27932) is N-(ethylideneamino)-N-methylformamide.
What is the SMILES notation for N-(ethylideneamino)-N-methylformamide?
The canonical SMILES for N-(ethylideneamino)-N-methylformamide is CC=NN(C)C=O.
What is the InChIKey of N-(ethylideneamino)-N-methylformamide?
The InChIKey is IMAGWKUTFZRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3.
What are the key properties of N-(ethylideneamino)-N-methylformamide?
N-(ethylideneamino)-N-methylformamide has a molecular weight of 100.12 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-N-methylformamide is sourced from PubChem (CID 27932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).