ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one

C9H18N2O — CID 144747109

IUPACethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one
SMILESCC.CNN1CC(C)C=CC1=O
InChIInChI=1S/C7H12N2O.C2H6/c1-6-3-4-7(10)9(5-6)8-2;1-2/h3-4,6,8H,5H2,1-2H3;1-2H3
InChIKeyXRPGZBARMWGOCR-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.18
Rot. Bonds1

About ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one

ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one (PubChem CID 144747109) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Nameethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one
PubChem CID144747109
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one
SMILESCC.CNN1CC(C)C=CC1=O
InChIInChI=1S/C7H12N2O.C2H6/c1-6-3-4-7(10)9(5-6)8-2;1-2/h3-4,6,8H,5H2,1-2H3;1-2H3
InChIKeyXRPGZBARMWGOCR-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-2,3-dihydropyridin-6-one
CID 57456894
N'-cyclopropyl-N,4-dimethylpent-2-enehydrazide
CID 90151313
N,4-dimethyl-N'-propan-2-ylpent-2-enehydrazide
CID 90151556
N',N',4-trimethylpent-2-enehydrazide
CID 90151634
N'-ethyl-N,4-dimethylpent-2-enehydrazide
CID 90151723
(E)-3-methyl-N-prop-2-enylpent-2-enehydrazide
CID 118686803
6-Methyl-2-propan-2-yl-1,6-dihydropyridazin-3-one
CID 130257086
1-(Ethylamino)-2,3-dihydropyridin-6-one
CID 138670225
N'-but-2-enyl-N'-prop-2-enoylhexa-2,5-dienehydrazide
CID 140188038
(Z)-N,N'-dimethylpent-2-enehydrazide;methanamine
CID 144066331
N-ethyl-N',2,4-trimethylpent-2-enehydrazide
CID 145774502
Dimethyl-(2-methylhexa-2,5-dienoylamino)-propylazanium
CID 173009466

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one?
The IUPAC name of ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one (CID 144747109) is ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one.
What is the SMILES notation for ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one?
The canonical SMILES for ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one is CC.CNN1CC(C)C=CC1=O.
What is the InChIKey of ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one?
The InChIKey is XRPGZBARMWGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-6-3-4-7(10)9(5-6)8-2;1-2/h3-4,6,8H,5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one?
ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one has a molecular weight of 170.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(methylamino)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 144747109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).