7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one

C17H19NO3 — CID 149247367

IUPAC7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one
SMILESCC(=O)C1=C(O)c2ccc(C3CC3)n2C2(CCCC2)C1=O
InChIInChI=1S/C17H19NO3/c1-10(19)14-15(20)13-7-6-12(11-4-5-11)18(13)17(16(14)21)8-2-3-9-17/h6-7,11,20H,2-5,8-9H2,1H3
InChIKeyUBWFJPPIYACCNE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.08
Rot. Bonds2

About 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one

7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one (PubChem CID 149247367) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one.

Molecular Properties

Compound Name7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one
PubChem CID149247367
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one
SMILESCC(=O)C1=C(O)c2ccc(C3CC3)n2C2(CCCC2)C1=O
InChIInChI=1S/C17H19NO3/c1-10(19)14-15(20)13-7-6-12(11-4-5-11)18(13)17(16(14)21)8-2-3-9-17/h6-7,11,20H,2-5,8-9H2,1H3
InChIKeyUBWFJPPIYACCNE-UHFFFAOYSA-N
XLogP3.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one?
The IUPAC name of 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one (CID 149247367) is 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one.
What is the SMILES notation for 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one?
The canonical SMILES for 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one is CC(=O)C1=C(O)c2ccc(C3CC3)n2C2(CCCC2)C1=O.
What is the InChIKey of 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one?
The InChIKey is UBWFJPPIYACCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10(19)14-15(20)13-7-6-12(11-4-5-11)18(13)17(16(14)21)8-2-3-9-17/h6-7,11,20H,2-5,8-9H2,1H3.
What are the key properties of 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one?
7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one has a molecular weight of 285.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-acetyl-3'-cyclopropyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one is sourced from PubChem (CID 149247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).