ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one

C17H21NO — CID 169153001

IUPACethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
SMILESC=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C.CC
InChIInChI=1S/C15H15NO.C2H6/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17;1-2/h4-10H,1H2,2-3H3;1-2H3/b12-8+,13-5+;
InChIKeyOHIXSWPHDGIZQW-VRCFMJRASA-N
MW255.36 g/mol
LogP2.40
Rot. Bonds1

About ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one

ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one (PubChem CID 169153001) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one.

Molecular Properties

Compound Nameethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
PubChem CID169153001
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Nameethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
SMILESC=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C.CC
InChIInChI=1S/C15H15NO.C2H6/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17;1-2/h4-10H,1H2,2-3H3;1-2H3/b12-8+,13-5+;
InChIKeyOHIXSWPHDGIZQW-VRCFMJRASA-N
XLogP2.40
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19009330
1,2,4-Trimethyl-1H-quinolin-5-one
CID 4051920
Dibenzoquinolizinone
CID 129708176
(1S)-1-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134960196
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
(1S)-1-ethenyl-9-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-6-one
CID 134969292
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
1-(5,6-dihydro-1H-isoquinolino[2,1-b]isoquinolin-8-yl)propan-2-one
CID 19353585
3,4-Dihydroquinolizin-2-one
CID 19840729
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The IUPAC name of ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one (CID 169153001) is ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one.
What is the SMILES notation for ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The canonical SMILES for ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one is C=C/C=c1/c(=O)c(C)c2ccccn2/c1=C/C.CC.
What is the InChIKey of ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
The InChIKey is OHIXSWPHDGIZQW-VRCFMJRASA-N. The full InChI is InChI=1S/C15H15NO.C2H6/c1-4-8-12-13(5-2)16-10-7-6-9-14(16)11(3)15(12)17;1-2/h4-10H,1H2,2-3H3;1-2H3/b12-8+,13-5+;.
What are the key properties of ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one?
ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one has a molecular weight of 255.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one is sourced from PubChem (CID 169153001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).