(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one

C16H16FNO — CID 101469146

IUPAC(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one
SMILESC=C1CC[C@]2(C1)C[C@@H]1Cc3cc(F)ccc3N1C2=O
InChIInChI=1S/C16H16FNO/c1-10-4-5-16(8-10)9-13-7-11-6-12(17)2-3-14(11)18(13)15(16)19/h2-3,6,13H,1,4-5,7-9H2/t13-,16-/m0/s1
InChIKeyFBRAQJUCVQVVNS-BBRMVZONSA-N
MW257.31 g/mol
LogP3.21
Rot. Bonds

About (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one

(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one (PubChem CID 101469146) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one
PubChem CID101469146
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one
SMILESC=C1CC[C@]2(C1)C[C@@H]1Cc3cc(F)ccc3N1C2=O
InChIInChI=1S/C16H16FNO/c1-10-4-5-16(8-10)9-13-7-11-6-12(17)2-3-14(11)18(13)15(16)19/h2-3,6,13H,1,4-5,7-9H2/t13-,16-/m0/s1
InChIKeyFBRAQJUCVQVVNS-BBRMVZONSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one?
The IUPAC name of (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one (CID 101469146) is (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one.
What is the SMILES notation for (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one?
The canonical SMILES for (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one is C=C1CC[C@]2(C1)C[C@@H]1Cc3cc(F)ccc3N1C2=O.
What is the InChIKey of (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one?
The InChIKey is FBRAQJUCVQVVNS-BBRMVZONSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-4-5-16(8-10)9-13-7-11-6-12(17)2-3-14(11)18(13)15(16)19/h2-3,6,13H,1,4-5,7-9H2/t13-,16-/m0/s1.
What are the key properties of (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one?
(2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one has a molecular weight of 257.31 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS)-6-fluoro-3'-methylidenespiro[3a,4-dihydro-3H-pyrrolo[1,2-a]indole-2,1'-cyclopentane]-1-one is sourced from PubChem (CID 101469146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).