N-(3-ethenyliminoprop-1-en-2-yl)acetamide

C7H10N2O — CID 145083664

IUPACN-(3-ethenyliminoprop-1-en-2-yl)acetamide
SMILESC=C/N=C/C(=C)NC(C)=O
InChIInChI=1S/C7H10N2O/c1-4-8-5-6(2)9-7(3)10/h4-5H,1-2H2,3H3,(H,9,10)/b8-5+
InChIKeyRVCXTQVFVSQGRG-VMPITWQZSA-N
MW138.17 g/mol
LogP0.85
Rot. Bonds3

About N-(3-ethenyliminoprop-1-en-2-yl)acetamide

N-(3-ethenyliminoprop-1-en-2-yl)acetamide (PubChem CID 145083664) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-(3-ethenyliminoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethenyliminoprop-1-en-2-yl)acetamide
PubChem CID145083664
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-(3-ethenyliminoprop-1-en-2-yl)acetamide
SMILESC=C/N=C/C(=C)NC(C)=O
InChIInChI=1S/C7H10N2O/c1-4-8-5-6(2)9-7(3)10/h4-5H,1-2H2,3H3,(H,9,10)/b8-5+
InChIKeyRVCXTQVFVSQGRG-VMPITWQZSA-N
XLogP0.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The IUPAC name of N-(3-ethenyliminoprop-1-en-2-yl)acetamide (CID 145083664) is N-(3-ethenyliminoprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(3-ethenyliminoprop-1-en-2-yl)acetamide is C=C/N=C/C(=C)NC(C)=O.
What is the InChIKey of N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
The InChIKey is RVCXTQVFVSQGRG-VMPITWQZSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-8-5-6(2)9-7(3)10/h4-5H,1-2H2,3H3,(H,9,10)/b8-5+.
What are the key properties of N-(3-ethenyliminoprop-1-en-2-yl)acetamide?
N-(3-ethenyliminoprop-1-en-2-yl)acetamide has a molecular weight of 138.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyliminoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 145083664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).