2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide

C9H16N2O — CID 91470726

IUPAC2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
SMILESCC=C(C(=O)NC)C(C)/N=C/C
InChIInChI=1S/C9H16N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-7H,1-4H3,(H,10,12)/b8-5?,11-6+
InChIKeySSWUVXLDTGWMSE-YGEWACTLSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds3

About 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide

2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide (PubChem CID 91470726) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
PubChem CID91470726
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
SMILESCC=C(C(=O)NC)C(C)/N=C/C
InChIInChI=1S/C9H16N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-7H,1-4H3,(H,10,12)/b8-5?,11-6+
InChIKeySSWUVXLDTGWMSE-YGEWACTLSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide
CID 90832404
N-methyl-3H-pyridin-1-ium-4-carboxamide
CID 57064204
(E)-4-butan-2-ylimino-2-methyl-N-[(E)-pent-2-enyl]but-2-enamide
CID 124182009
N-[3-(2-methylprop-2-enoylamino)propyl]-2,3-dihydropyridine-4-carboxamide
CID 145510764
2-methyl-2H-pyrrole-3-carboxamide
CID 151360967
ethane;(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
CID 178151413
(E)-N,2-dimethyl-4-(methylideneamino)pent-2-enamide
CID 143931882
(E)-2-ethyl-N,4-dimethyl-3-(prop-2-enylideneamino)pent-2-enamide
CID 178151414

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide?
The IUPAC name of 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide (CID 91470726) is 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide.
What is the SMILES notation for 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide?
The canonical SMILES for 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide is CC=C(C(=O)NC)C(C)/N=C/C.
What is the InChIKey of 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide?
The InChIKey is SSWUVXLDTGWMSE-YGEWACTLSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-8(9(12)10-4)7(3)11-6-2/h5-7H,1-4H3,(H,10,12)/b8-5?,11-6+.
What are the key properties of 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide?
2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide is sourced from PubChem (CID 91470726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).