N-formylprop-2-enamide;N-methylformamide

C6H10N2O3 — CID 159760738

IUPACN-formylprop-2-enamide;N-methylformamide
SMILESC=CC(=O)NC=O.CNC=O
InChIInChI=1S/C4H5NO2.C2H5NO/c1-2-4(7)5-3-6;1-3-2-4/h2-3H,1H2,(H,5,6,7);2H,1H3,(H,3,4)
InChIKeyNEVPFACDOWQFLW-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.19
Rot. Bonds3

About N-formylprop-2-enamide;N-methylformamide

N-formylprop-2-enamide;N-methylformamide (PubChem CID 159760738) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is N-formylprop-2-enamide;N-methylformamide.

Molecular Properties

Compound NameN-formylprop-2-enamide;N-methylformamide
PubChem CID159760738
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC NameN-formylprop-2-enamide;N-methylformamide
SMILESC=CC(=O)NC=O.CNC=O
InChIInChI=1S/C4H5NO2.C2H5NO/c1-2-4(7)5-3-6;1-3-2-4/h2-3H,1H2,(H,5,6,7);2H,1H3,(H,3,4)
InChIKeyNEVPFACDOWQFLW-UHFFFAOYSA-N
XLogP-1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formylprop-2-enamide;N-methylformamide?
The IUPAC name of N-formylprop-2-enamide;N-methylformamide (CID 159760738) is N-formylprop-2-enamide;N-methylformamide.
What is the SMILES notation for N-formylprop-2-enamide;N-methylformamide?
The canonical SMILES for N-formylprop-2-enamide;N-methylformamide is C=CC(=O)NC=O.CNC=O.
What is the InChIKey of N-formylprop-2-enamide;N-methylformamide?
The InChIKey is NEVPFACDOWQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H5NO/c1-2-4(7)5-3-6;1-3-2-4/h2-3H,1H2,(H,5,6,7);2H,1H3,(H,3,4).
What are the key properties of N-formylprop-2-enamide;N-methylformamide?
N-formylprop-2-enamide;N-methylformamide has a molecular weight of 158.16 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylprop-2-enamide;N-methylformamide is sourced from PubChem (CID 159760738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).