1-ethyl-3-methyl-2,3-dihydropyridin-6-one

C8H13NO — CID 10582858

IUPAC1-ethyl-3-methyl-2,3-dihydropyridin-6-one
SMILESCCN1CC(C)C=CC1=O
InChIInChI=1S/C8H13NO/c1-3-9-6-7(2)4-5-8(9)10/h4-5,7H,3,6H2,1-2H3
InChIKeySMGRDNRWIBHCMI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds1

About 1-ethyl-3-methyl-2,3-dihydropyridin-6-one

1-ethyl-3-methyl-2,3-dihydropyridin-6-one (PubChem CID 10582858) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-2,3-dihydropyridin-6-one
PubChem CID10582858
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-ethyl-3-methyl-2,3-dihydropyridin-6-one
SMILESCCN1CC(C)C=CC1=O
InChIInChI=1S/C8H13NO/c1-3-9-6-7(2)4-5-8(9)10/h4-5,7H,3,6H2,1-2H3
InChIKeySMGRDNRWIBHCMI-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Prop-2-enoyl-2,3-dihydropyridin-6-one
CID 72205202
1-[(E)-but-2-enoyl]-2,3-dihydropyridin-6-one
CID 137631456
(E)-N,N-diethyl-5-methylhex-2-enamide
CID 14340793
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[(E)-4-(dimethylamino)but-2-enoyl]-2,3-dihydropyridin-6-one
CID 172441834
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
(Z)-N,N-diethylhept-2-enamide
CID 162678727
1,6-Dimethyl-5,6-dihydropyridin-2(1h)-one
CID 12662945
lithium N,N-diethylbenzamide
CID 12872035
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-Methyl-5,6-dihydropyridin-2(1H)-one
CID 18414702
(E)-N,N,4-trimethylpent-2-enamide
CID 18711742

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-ethyl-3-methyl-2,3-dihydropyridin-6-one (CID 10582858) is 1-ethyl-3-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-ethyl-3-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-ethyl-3-methyl-2,3-dihydropyridin-6-one is CCN1CC(C)C=CC1=O.
What is the InChIKey of 1-ethyl-3-methyl-2,3-dihydropyridin-6-one?
The InChIKey is SMGRDNRWIBHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-6-7(2)4-5-8(9)10/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2,3-dihydropyridin-6-one?
1-ethyl-3-methyl-2,3-dihydropyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10582858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).