ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one

C14H28N2O — CID 143818770

IUPACethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
SMILESC=CC1=C(N=C)CCNC1=O.CC.CC.CC
InChIInChI=1S/C8H10N2O.3C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;3*1-2/h3H,1-2,4-5H2,(H,10,11);3*1-2H3
InChIKeyBTRTZKISLPMUJK-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.73
Rot. Bonds2

About ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one

ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 143818770) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Nameethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
PubChem CID143818770
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Nameethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
SMILESC=CC1=C(N=C)CCNC1=O.CC.CC.CC
InChIInChI=1S/C8H10N2O.3C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;3*1-2/h3H,1-2,4-5H2,(H,10,11);3*1-2H3
InChIKeyBTRTZKISLPMUJK-UHFFFAOYSA-N
XLogP3.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.73
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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
2-Hydroxy-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008524
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 16342672
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 25605345
6-Ethyl-1,2-dihydropyridine-5-carboxamide
CID 68763744
3-(ethylaminomethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 82526333
(2Z)-3-(dimethylamino)-2-methyl-N-propylhexa-2,5-dienamide
CID 87504307
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide
CID 123414627
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylidenebut-3-enamide
CID 123987635
(Z)-N-(3-aminobutyl)-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124181257
(Z)-N-ethyl-2-methylidene-4-(methylideneamino)hex-3-enamide
CID 124182391

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one (CID 143818770) is ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one is C=CC1=C(N=C)CCNC1=O.CC.CC.CC.
What is the InChIKey of ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is BTRTZKISLPMUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.3C2H6/c1-3-6-7(9-2)4-5-10-8(6)11;3*1-2/h3H,1-2,4-5H2,(H,10,11);3*1-2H3.
What are the key properties of ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 240.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 143818770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).