(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one

C15H23NO — CID 91723874

IUPAC(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one
SMILESCC(=O)CCC(C)/C=C1/C=CC2CCCN2C1
InChIInChI=1S/C15H23NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12,15H,3-6,9,11H2,1-2H3/b14-10-
InChIKeySABHBRZGDUJKCF-UVTDQMKNSA-N
MW233.35 g/mol
LogP2.95
Rot. Bonds4

About (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one

(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one (PubChem CID 91723874) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one.

Molecular Properties

Compound Name(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one
PubChem CID91723874
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one
SMILESCC(=O)CCC(C)/C=C1/C=CC2CCCN2C1
InChIInChI=1S/C15H23NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12,15H,3-6,9,11H2,1-2H3/b14-10-
InChIKeySABHBRZGDUJKCF-UVTDQMKNSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2E)-2-[[(2S)-1-methylpyrrolidin-2-yl]methylidene]cyclopentyl]ethanone
CID 134855694
1-[(1R,2Z)-3-methyl-2-[[(2R)-2-methylpyrrolidin-1-yl]methylidene]cyclopent-3-en-1-yl]propan-2-one
CID 134964200
1-(2-Pyrrolidin-1-ylcyclohex-3-en-1-yl)ethanone
CID 134980510
1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
2-Ethenyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070333
2-Ethenyl-7-methyl-6-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 135070771
(5r)5-Methyl-6-((z)-1,2,3,8a-tetrahydroindolizin-6(5h)ylidene)-2-hexanone
CID 156025313
1-pentyl-7,7a-dihydro-2H-indol-3-one
CID 67760388
1-(2-Methyl-1,3,3a,7a-tetrahydroisoindol-1-yl)ethanone
CID 89047998
1-[1-[(2Z,4E,7E,9Z)-7-methyl-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)dodeca-2,7,9,11-tetraen-5-yl]pyrrolidin-2-yl]ethanone
CID 89953278
1-(1-Methyl-6-propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
CID 90364843
1-(1-Propan-2-yl-3a,7a-dihydroindol-3-yl)ethanone
CID 90364844

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one?
The IUPAC name of (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one (CID 91723874) is (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one.
What is the SMILES notation for (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one?
The canonical SMILES for (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one is CC(=O)CCC(C)/C=C1/C=CC2CCCN2C1.
What is the InChIKey of (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one?
The InChIKey is SABHBRZGDUJKCF-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(5-6-13(2)17)10-14-7-8-15-4-3-9-16(15)11-14/h7-8,10,12,15H,3-6,9,11H2,1-2H3/b14-10-.
What are the key properties of (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one?
(6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one has a molecular weight of 233.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2,3,5,8a-tetrahydro-1H-indolizin-6-ylidene)-5-methylhexan-2-one is sourced from PubChem (CID 91723874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).