3-cyclopentyl-2-iodo-8a-methylindolizin-1-one

C14H16INO — CID 135013161

IUPAC3-cyclopentyl-2-iodo-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1CCCC1)=C(I)C2=O
InChIInChI=1S/C14H16INO/c1-14-8-4-5-9-16(14)12(11(15)13(14)17)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyRGPWFFAYZSBCEN-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.55
Rot. Bonds1

About 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one

3-cyclopentyl-2-iodo-8a-methylindolizin-1-one (PubChem CID 135013161) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one.

Molecular Properties

Compound Name3-cyclopentyl-2-iodo-8a-methylindolizin-1-one
PubChem CID135013161
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name3-cyclopentyl-2-iodo-8a-methylindolizin-1-one
SMILESCC12C=CC=CN1C(C1CCCC1)=C(I)C2=O
InChIInChI=1S/C14H16INO/c1-14-8-4-5-9-16(14)12(11(15)13(14)17)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyRGPWFFAYZSBCEN-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one?
The IUPAC name of 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one (CID 135013161) is 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one.
What is the SMILES notation for 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one?
The canonical SMILES for 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one is CC12C=CC=CN1C(C1CCCC1)=C(I)C2=O.
What is the InChIKey of 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one?
The InChIKey is RGPWFFAYZSBCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-14-8-4-5-9-16(14)12(11(15)13(14)17)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one?
3-cyclopentyl-2-iodo-8a-methylindolizin-1-one has a molecular weight of 341.19 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-iodo-8a-methylindolizin-1-one is sourced from PubChem (CID 135013161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).