N-(3-ethenyliminopent-4-enyl)-N-methylacetamide

C10H16N2O — CID 142095802

IUPACN-(3-ethenyliminopent-4-enyl)-N-methylacetamide
SMILESC=C/N=C(\C=C)CCN(C)C(C)=O
InChIInChI=1S/C10H16N2O/c1-5-10(11-6-2)7-8-12(4)9(3)13/h5-6H,1-2,7-8H2,3-4H3/b11-10+
InChIKeyZFLBEWLVBSHJJF-ZHACJKMWSA-N
MW180.25 g/mol
LogP1.63
Rot. Bonds5

About N-(3-ethenyliminopent-4-enyl)-N-methylacetamide

N-(3-ethenyliminopent-4-enyl)-N-methylacetamide (PubChem CID 142095802) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(3-ethenyliminopent-4-enyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-ethenyliminopent-4-enyl)-N-methylacetamide
PubChem CID142095802
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(3-ethenyliminopent-4-enyl)-N-methylacetamide
SMILESC=C/N=C(\C=C)CCN(C)C(C)=O
InChIInChI=1S/C10H16N2O/c1-5-10(11-6-2)7-8-12(4)9(3)13/h5-6H,1-2,7-8H2,3-4H3/b11-10+
InChIKeyZFLBEWLVBSHJJF-ZHACJKMWSA-N
XLogP1.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3,4-dihydropyridine-2-carboxamide
CID 58752925
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
CID 91507600
2-ethenylimino-N,N-dimethylbut-3-enamide
CID 123536896
N,N-diethylazete-2-carboxamide
CID 152106042
N-[(5,6-dimethyl-4H-azepin-7-yl)methyl]-N-methylacetamide
CID 163440421
N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
CID 167146385
7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
CID 170585661

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyliminopent-4-enyl)-N-methylacetamide?
The IUPAC name of N-(3-ethenyliminopent-4-enyl)-N-methylacetamide (CID 142095802) is N-(3-ethenyliminopent-4-enyl)-N-methylacetamide.
What is the SMILES notation for N-(3-ethenyliminopent-4-enyl)-N-methylacetamide?
The canonical SMILES for N-(3-ethenyliminopent-4-enyl)-N-methylacetamide is C=C/N=C(\C=C)CCN(C)C(C)=O.
What is the InChIKey of N-(3-ethenyliminopent-4-enyl)-N-methylacetamide?
The InChIKey is ZFLBEWLVBSHJJF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-10(11-6-2)7-8-12(4)9(3)13/h5-6H,1-2,7-8H2,3-4H3/b11-10+.
What are the key properties of N-(3-ethenyliminopent-4-enyl)-N-methylacetamide?
N-(3-ethenyliminopent-4-enyl)-N-methylacetamide has a molecular weight of 180.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyliminopent-4-enyl)-N-methylacetamide is sourced from PubChem (CID 142095802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).