N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide

C8H12N2O — CID 143158240

IUPACN-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
SMILESC=C/C=N/C(=C)CNC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-5-9-7(2)6-10-8(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-5+
InChIKeyLJGHADWAIASXDK-WEVVVXLNSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds4

About N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide

N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide (PubChem CID 143158240) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
PubChem CID143158240
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
SMILESC=C/C=N/C(=C)CNC(C)=O
InChIInChI=1S/C8H12N2O/c1-4-5-9-7(2)6-10-8(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-5+
InChIKeyLJGHADWAIASXDK-WEVVVXLNSA-N
XLogP0.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
CID 23388689
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
2-[[(E)-3-[2-(dimethylamino)ethylamino]but-2-enylidene]amino]-N-methylacetamide
CID 90245492
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-[(1E)-1-(prop-2-enylideneamino)buta-1,3-dien-2-yl]acetamide
CID 137490218
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
CID 141144618
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide
CID 141868008
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide?
The IUPAC name of N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide (CID 143158240) is N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide.
What is the SMILES notation for N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide?
The canonical SMILES for N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide is C=C/C=N/C(=C)CNC(C)=O.
What is the InChIKey of N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide?
The InChIKey is LJGHADWAIASXDK-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-5-9-7(2)6-10-8(3)11/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-5+.
What are the key properties of N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide?
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide is sourced from PubChem (CID 143158240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).