ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one

C17H35NO — CID 142959923

IUPACethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\C1=C(C)C(=O)CC(C)N1C.CC.CC.CC
InChIInChI=1S/C11H17NO.3C2H6/c1-5-6-10-9(3)11(13)7-8(2)12(10)4;3*1-2/h5-6,8H,7H2,1-4H3;3*1-2H3/b6-5-;;;
InChIKeyIMEZSQQJQOHNPW-WTUPQPTJSA-N
MW269.47 g/mol
LogP5.21
Rot. Bonds1

About ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one

ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one (PubChem CID 142959923) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Nameethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
PubChem CID142959923
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\C1=C(C)C(=O)CC(C)N1C.CC.CC.CC
InChIInChI=1S/C11H17NO.3C2H6/c1-5-6-10-9(3)11(13)7-8(2)12(10)4;3*1-2/h5-6,8H,7H2,1-4H3;3*1-2H3/b6-5-;;;
InChIKeyIMEZSQQJQOHNPW-WTUPQPTJSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,6-Trimethyl-3,5-diacetyl-1,2-dihydropyridine
CID 129785730
1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
CID 134950025
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1-Propyl-6,7-dihydroquinolin-5-one
CID 54409466
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561
(6E)-6-[(Z)-but-2-enylidene]-1-cyclopropyl-2-methyl-7-methylidene-3-[(2Z)-penta-2,4-dien-2-yl]-4H-azepin-5-one
CID 89143598
3-[4-(Azepan-1-yl)cyclohexa-2,4-dien-1-ylidene]pentane-2,4-dione
CID 91579620
4-[5-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-octylpyrrol-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 117849818
1-Methyl-2,6,7,8-tetrahydroquinolin-5-one
CID 118943943
3-Methyl-2-octyl-4-oxo-8,8a-dihydroquinoline-1-carbonitrile
CID 135128743
2,3,5-Trimethyl-6-[3-[(2-methylcyclohexa-1,5-dien-1-yl)-prop-1-en-2-ylamino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 137507092
(3E,4E,5Z,7Z)-4-ethylidene-3-[1-[ethyl(methyl)amino]ethylidene]deca-5,7-dien-2-one
CID 141909239

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The IUPAC name of ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one (CID 142959923) is ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one is C/C=C\C1=C(C)C(=O)CC(C)N1C.CC.CC.CC.
What is the InChIKey of ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
The InChIKey is IMEZSQQJQOHNPW-WTUPQPTJSA-N. The full InChI is InChI=1S/C11H17NO.3C2H6/c1-5-6-10-9(3)11(13)7-8(2)12(10)4;3*1-2/h5-6,8H,7H2,1-4H3;3*1-2H3/b6-5-;;;.
What are the key properties of ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one?
ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one has a molecular weight of 269.47 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,5-trimethyl-6-[(Z)-prop-1-enyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 142959923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).