2-ethenylimino-N-ethylbut-3-enamide

C8H12N2O — CID 170583189

IUPAC2-ethenylimino-N-ethylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCC
InChIInChI=1S/C8H12N2O/c1-4-7(9-5-2)8(11)10-6-3/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-7+
InChIKeyNEOOBRTUOBQBHA-VQHVLOKHSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds4

About 2-ethenylimino-N-ethylbut-3-enamide

2-ethenylimino-N-ethylbut-3-enamide (PubChem CID 170583189) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethenylimino-N-ethylbut-3-enamide.

Molecular Properties

Compound Name2-ethenylimino-N-ethylbut-3-enamide
PubChem CID170583189
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethenylimino-N-ethylbut-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCC
InChIInChI=1S/C8H12N2O/c1-4-7(9-5-2)8(11)10-6-3/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-7+
InChIKeyNEOOBRTUOBQBHA-VQHVLOKHSA-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

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CID 23164916
N-prop-2-enylazete-2-carboxamide
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CID 58190011
N-butyl-1,4-oxazepine-5-carboxamide
CID 69444220
N,8-diethyl-1,4-diazocine-5-carboxamide
CID 77953105
2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
CID 123143185
2-(but-3-en-2-ylideneamino)-N-propylacetamide
CID 123402459
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-(3-aminopropyl)-2-iminobut-3-enamide
CID 123991360
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-(cyclopropylmethyl)-2-methyliminobut-3-enamide
CID 134479764
N-ethenylazete-2-carboxamide
CID 139628977

Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-ethylbut-3-enamide?
The IUPAC name of 2-ethenylimino-N-ethylbut-3-enamide (CID 170583189) is 2-ethenylimino-N-ethylbut-3-enamide.
What is the SMILES notation for 2-ethenylimino-N-ethylbut-3-enamide?
The canonical SMILES for 2-ethenylimino-N-ethylbut-3-enamide is C=C/N=C(\C=C)C(=O)NCC.
What is the InChIKey of 2-ethenylimino-N-ethylbut-3-enamide?
The InChIKey is NEOOBRTUOBQBHA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7(9-5-2)8(11)10-6-3/h4-5H,1-2,6H2,3H3,(H,10,11)/b9-7+.
What are the key properties of 2-ethenylimino-N-ethylbut-3-enamide?
2-ethenylimino-N-ethylbut-3-enamide 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 2-ethenylimino-N-ethylbut-3-enamide is sourced from PubChem (CID 170583189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).