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

C10H16N2O — CID 145416167

IUPACethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
SMILESC=CC1=C(N=C)C(=O)NCC1.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-3-6-4-5-10-8(11)7(6)9-2;1-2/h3H,1-2,4-5H2,(H,10,11);1-2H3
InChIKeyPMOFTDWZFQEPGK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds2

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

ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 145416167) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Nameethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
PubChem CID145416167
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
SMILESC=CC1=C(N=C)C(=O)NCC1.CC
InChIInChI=1S/C8H10N2O.C2H6/c1-3-6-4-5-10-8(11)7(6)9-2;1-2/h3H,1-2,4-5H2,(H,10,11);1-2H3
InChIKeyPMOFTDWZFQEPGK-UHFFFAOYSA-N
XLogP1.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
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-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
CID 66633193
3-Amino-1,7a-dihydroindol-2-one
CID 69177347
5,6,7,8-Tetrahydro-1,7-naphthyridin-2(1H)-one
CID 69600868
(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide
CID 89153676
ethyl-[6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-2-oxo-1H-pyridin-3-yl]azanium
CID 91327061
(E)-N-(1,2-dihydropyridin-6-ylmethyl)-3-methylhept-2-enamide
CID 118686971
(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hept-2-enamide
CID 121464212
(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
CID 121464236
2-(methylamino)-N-[2-[5-(methylamino)cyclohepta-1,4,6-trien-1-yl]ethyl]acetamide
CID 135235174
1,2,3,6,7,8-Hexahydropyrido[3,4-b]azepin-9-one
CID 138464387
5-(methylaminomethyl)-6-propyl-1H-pyridin-2-one
CID 139458537
ethane;5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one
CID 143136259

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one (CID 145416167) is ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one is C=CC1=C(N=C)C(=O)NCC1.CC.
What is the InChIKey of ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is PMOFTDWZFQEPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-3-6-4-5-10-8(11)7(6)9-2;1-2/h3H,1-2,4-5H2,(H,10,11);1-2H3.
What are the key properties of ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one?
ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 145416167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).