N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide

C7H12N2O2 — CID 143260716

IUPACN-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)/N=C/C
InChIInChI=1S/C7H12N2O2/c1-3-7(11)9(5-6-10)8-4-2/h3-4,10H,1,5-6H2,2H3/b8-4+
InChIKeyYMQVJKHUPPNZMR-XBXARRHUSA-N
MW156.18 g/mol
LogP-0.00
Rot. Bonds4

About N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide

N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 143260716) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID143260716
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)/N=C/C
InChIInChI=1S/C7H12N2O2/c1-3-7(11)9(5-6-10)8-4-2/h3-4,10H,1,5-6H2,2H3/b8-4+
InChIKeyYMQVJKHUPPNZMR-XBXARRHUSA-N
XLogP-0.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Hydroxyethyl)-3-pyridazone
CID 12554429
N-(2-hydroxyethyl)-N',N'-dimethylprop-2-enehydrazide
CID 147868698
2-(1-Hydroxypropyl)pyridazin-3-one
CID 174258046
2-(2-Hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 62849436
2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 103935360
2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 103935361

Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide (CID 143260716) is N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CCO)/N=C/C.
What is the InChIKey of N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is YMQVJKHUPPNZMR-XBXARRHUSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-7(11)9(5-6-10)8-4-2/h3-4,10H,1,5-6H2,2H3/b8-4+.
What are the key properties of N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide?
N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 156.18 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 143260716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).