(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C15H13ClN2O — CID 15956370

IUPAC(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCn1cccc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O/c1-18-6-2-3-13(18)11-8-15(11)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1
InChIKeyFCFCNCYISYJEQS-IAQYHMDHSA-N
MW272.74 g/mol
LogP3.06
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956370) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956370
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCn1cccc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H13ClN2O/c1-18-6-2-3-13(18)11-8-15(11)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1
InChIKeyFCFCNCYISYJEQS-IAQYHMDHSA-N
XLogP3.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-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 (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956370) is (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is Cn1cccc1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is FCFCNCYISYJEQS-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-18-6-2-3-13(18)11-8-15(11)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).