N-(2-formamidoethylidene)propanamide

C6H10N2O2 — CID 57186135

IUPACN-(2-formamidoethylidene)propanamide
SMILESCCC(=O)/N=C/CNC=O
InChIInChI=1S/C6H10N2O2/c1-2-6(10)8-4-3-7-5-9/h4-5H,2-3H2,1H3,(H,7,9)/b8-4+
InChIKeyYZZZQTIANLIDKE-XBXARRHUSA-N
MW142.16 g/mol
LogP-0.26
Rot. Bonds4

About N-(2-formamidoethylidene)propanamide

N-(2-formamidoethylidene)propanamide (PubChem CID 57186135) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(2-formamidoethylidene)propanamide.

Molecular Properties

Compound NameN-(2-formamidoethylidene)propanamide
PubChem CID57186135
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(2-formamidoethylidene)propanamide
SMILESCCC(=O)/N=C/CNC=O
InChIInChI=1S/C6H10N2O2/c1-2-6(10)8-4-3-7-5-9/h4-5H,2-3H2,1H3,(H,7,9)/b8-4+
InChIKeyYZZZQTIANLIDKE-XBXARRHUSA-N
XLogP-0.26
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-formamidoethylidene)propanamide?
The IUPAC name of N-(2-formamidoethylidene)propanamide (CID 57186135) is N-(2-formamidoethylidene)propanamide.
What is the SMILES notation for N-(2-formamidoethylidene)propanamide?
The canonical SMILES for N-(2-formamidoethylidene)propanamide is CCC(=O)/N=C/CNC=O.
What is the InChIKey of N-(2-formamidoethylidene)propanamide?
The InChIKey is YZZZQTIANLIDKE-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-6(10)8-4-3-7-5-9/h4-5H,2-3H2,1H3,(H,7,9)/b8-4+.
What are the key properties of N-(2-formamidoethylidene)propanamide?
N-(2-formamidoethylidene)propanamide has a molecular weight of 142.16 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formamidoethylidene)propanamide is sourced from PubChem (CID 57186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).