ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione

C13H20N2O2 — CID 143838789

IUPACethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-,12-7+;
InChIKeyCCVUFILSLHOULU-KUIRYIATSA-N
MW236.31 g/mol
LogP1.97
Rot. Bonds2

About ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione

ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione (PubChem CID 143838789) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione.

Molecular Properties

Compound Nameethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
PubChem CID143838789
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1.CC
InChIInChI=1S/C11H14N2O2.C2H6/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-,12-7+;
InChIKeyCCVUFILSLHOULU-KUIRYIATSA-N
XLogP1.97
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(methyliminomethyl)-6-[(Z)-prop-1-enyl]-3,4-dihydropyridin-2-one
CID 132038327
2-methyl-8H-pyrrolo[3,4-c]azepine-1,3-dione
CID 142053700
1-[(2E,4Z)-4-methanimidoylhexa-2,4-dienoyl]-3,3-dimethyl-2H-pyridin-6-one
CID 142598979
1-(1,3,4,7-Tetrahydropyrido[3,4-c]azepin-2-yl)ethanone
CID 143019342
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one;ethane
CID 143839050
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 143839053
ethane;5-(ethyliminomethyl)-1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyridin-2-one
CID 144037247
1,4-dimethyl-3H-pyridin-1-ium-2-one;1,6-dimethylpyridin-2-one
CID 159185875
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
CID 143838790
3-[(Z)-but-1-enyl]-1-methyl-4-(methyliminomethyl)-2H-pyrrol-5-one
CID 143839051
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-one
CID 143839054
5-(ethyliminomethyl)-1-methyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyridin-2-one
CID 144037248

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The IUPAC name of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione (CID 143838789) is ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione.
What is the SMILES notation for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The canonical SMILES for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione is C/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1.CC.
What is the InChIKey of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The InChIKey is CCVUFILSLHOULU-KUIRYIATSA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b5-4-,12-7+;.
What are the key properties of ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione has a molecular weight of 236.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione is sourced from PubChem (CID 143838789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).