1,2,5-trimethyl-2,5-dihydropyridin-6-one

C8H13NO — CID 89190198

IUPAC1,2,5-trimethyl-2,5-dihydropyridin-6-one
SMILESCC1C=CC(C)N(C)C1=O
InChIInChI=1S/C8H13NO/c1-6-4-5-7(2)9(3)8(6)10/h4-7H,1-3H3
InChIKeyKISRLAUTJDGEEU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds

About 1,2,5-trimethyl-2,5-dihydropyridin-6-one

1,2,5-trimethyl-2,5-dihydropyridin-6-one (PubChem CID 89190198) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,5-trimethyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1,2,5-trimethyl-2,5-dihydropyridin-6-one
PubChem CID89190198
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,2,5-trimethyl-2,5-dihydropyridin-6-one
SMILESCC1C=CC(C)N(C)C1=O
InChIInChI=1S/C8H13NO/c1-6-4-5-7(2)9(3)8(6)10/h4-7H,1-3H3
InChIKeyKISRLAUTJDGEEU-UHFFFAOYSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

Computed Properties (RDKit)

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

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Related Compounds

1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-[2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 3980505
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
1-(2,5-Dimethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 23566460
(8aS)-6,8a-dihydro-3H-indolizin-5-one
CID 10855504
(2R)-2-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
CID 55286113
1-Allyl-5-methyl-5,6-dihydropyridin-2(1h)-one
CID 129791253
10-methyl-6,7,8,10a-tetrahydro-3H-pyrido[1,2-a]azepin-4-one
CID 134922904
10-methyl-4,7,8,10a-tetrahydro-3H-pyrido[1,2-a]azepin-6-one
CID 135034558
(2S)-1,2-bis(prop-2-enyl)-2,5-dihydropyridin-6-one
CID 135077533

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-2,5-dihydropyridin-6-one?
The IUPAC name of 1,2,5-trimethyl-2,5-dihydropyridin-6-one (CID 89190198) is 1,2,5-trimethyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1,2,5-trimethyl-2,5-dihydropyridin-6-one?
The canonical SMILES for 1,2,5-trimethyl-2,5-dihydropyridin-6-one is CC1C=CC(C)N(C)C1=O.
What is the InChIKey of 1,2,5-trimethyl-2,5-dihydropyridin-6-one?
The InChIKey is KISRLAUTJDGEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-5-7(2)9(3)8(6)10/h4-7H,1-3H3.
What are the key properties of 1,2,5-trimethyl-2,5-dihydropyridin-6-one?
1,2,5-trimethyl-2,5-dihydropyridin-6-one has a molecular weight of 139.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 89190198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).