3-(cyclohexen-1-yl)-8a-methylindolizin-1-one

C15H17NO — CID 25105174

IUPAC3-(cyclohexen-1-yl)-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1=CCCCC1)=CC2=O
InChIInChI=1S/C15H17NO/c1-15-9-5-6-10-16(15)13(11-14(15)17)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKLKRIBIHTVOORS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.10
Rot. Bonds1

About 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one

3-(cyclohexen-1-yl)-8a-methylindolizin-1-one (PubChem CID 25105174) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-8a-methylindolizin-1-one
PubChem CID25105174
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(cyclohexen-1-yl)-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1=CCCCC1)=CC2=O
InChIInChI=1S/C15H17NO/c1-15-9-5-6-10-16(15)13(11-14(15)17)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKLKRIBIHTVOORS-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one?
The IUPAC name of 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one (CID 25105174) is 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one is CC12C=CC=CN1C(C1=CCCCC1)=CC2=O.
What is the InChIKey of 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one?
The InChIKey is KLKRIBIHTVOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15-9-5-6-10-16(15)13(11-14(15)17)12-7-3-2-4-8-12/h5-7,9-11H,2-4,8H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one?
3-(cyclohexen-1-yl)-8a-methylindolizin-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-8a-methylindolizin-1-one is sourced from PubChem (CID 25105174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).