(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one

C15H17NO — CID 169153039

IUPAC(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one
SMILESC=C/C=c1/c(=O)c(C)cn2c1=C(/C=C\C)CC2
InChIInChI=1S/C15H17NO/c1-4-6-12-8-9-16-10-11(3)15(17)13(7-5-2)14(12)16/h4-7,10H,2,8-9H2,1,3H3/b6-4-,13-7+
InChIKeyKWHRANWXDAJVJT-FMEHWCPISA-N
MW227.31 g/mol
LogP1.25
Rot. Bonds2

About (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one

(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one (PubChem CID 169153039) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one.

Molecular Properties

Compound Name(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one
PubChem CID169153039
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one
SMILESC=C/C=c1/c(=O)c(C)cn2c1=C(/C=C\C)CC2
InChIInChI=1S/C15H17NO/c1-4-6-12-8-9-16-10-11(3)15(17)13(7-5-2)14(12)16/h4-7,10H,2,8-9H2,1,3H3/b6-4-,13-7+
InChIKeyKWHRANWXDAJVJT-FMEHWCPISA-N
XLogP1.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclohexen-1-yl)-8a-methylindolizin-1-one
CID 25105174
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CID 91664957
3-Butyl-8a-methylindolizin-1-one
CID 102272771
1,2,6-Trimethyl-3,5-diacetyl-1,2-dihydropyridine
CID 129785730
1-[(3R)-3-ethenyl-2,3-dihydroindolizin-1-yl]ethanone
CID 134950025
(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
(E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one
CID 21757442
1-Propyl-6,7-dihydroquinolin-5-one
CID 54409466
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one
CID 57297378
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561

Frequently Asked Questions

What is the IUPAC name of (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one?
The IUPAC name of (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one (CID 169153039) is (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one.
What is the SMILES notation for (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one?
The canonical SMILES for (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one is C=C/C=c1/c(=O)c(C)cn2c1=C(/C=C\C)CC2.
What is the InChIKey of (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one?
The InChIKey is KWHRANWXDAJVJT-FMEHWCPISA-N. The full InChI is InChI=1S/C15H17NO/c1-4-6-12-8-9-16-10-11(3)15(17)13(7-5-2)14(12)16/h4-7,10H,2,8-9H2,1,3H3/b6-4-,13-7+.
What are the key properties of (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one?
(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one has a molecular weight of 227.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one is sourced from PubChem (CID 169153039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).