3-cyclopentyl-8a-methylindolizin-1-one

C14H17NO — CID 135010649

IUPAC3-cyclopentyl-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1CCCC1)=CC2=O
InChIInChI=1S/C14H17NO/c1-14-8-4-5-9-15(14)12(10-13(14)16)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyIWVVCIBXVRDILH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.79
Rot. Bonds1

About 3-cyclopentyl-8a-methylindolizin-1-one

3-cyclopentyl-8a-methylindolizin-1-one (PubChem CID 135010649) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-cyclopentyl-8a-methylindolizin-1-one.

Molecular Properties

Compound Name3-cyclopentyl-8a-methylindolizin-1-one
PubChem CID135010649
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-cyclopentyl-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1CCCC1)=CC2=O
InChIInChI=1S/C14H17NO/c1-14-8-4-5-9-15(14)12(10-13(14)16)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyIWVVCIBXVRDILH-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-8a-methylindolizin-1-one?
The IUPAC name of 3-cyclopentyl-8a-methylindolizin-1-one (CID 135010649) is 3-cyclopentyl-8a-methylindolizin-1-one.
What is the SMILES notation for 3-cyclopentyl-8a-methylindolizin-1-one?
The canonical SMILES for 3-cyclopentyl-8a-methylindolizin-1-one is CC12C=CC=CN1C(C1CCCC1)=CC2=O.
What is the InChIKey of 3-cyclopentyl-8a-methylindolizin-1-one?
The InChIKey is IWVVCIBXVRDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14-8-4-5-9-15(14)12(10-13(14)16)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 3-cyclopentyl-8a-methylindolizin-1-one?
3-cyclopentyl-8a-methylindolizin-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-8a-methylindolizin-1-one is sourced from PubChem (CID 135010649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).