(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one

C15H19NO — CID 177291037

IUPAC(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one
SMILESCC(C)[C@@H]1CC[C@@]2(C1)NC(=O)c1ccccc12
InChIInChI=1S/C15H19NO/c1-10(2)11-7-8-15(9-11)13-6-4-3-5-12(13)14(17)16-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/t11-,15+/m1/s1
InChIKeyYOTZHNFTMZLBEW-ABAIWWIYSA-N
MW229.32 g/mol
LogP3.08
Rot. Bonds1

About (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one

(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one (PubChem CID 177291037) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one
PubChem CID177291037
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one
SMILESCC(C)[C@@H]1CC[C@@]2(C1)NC(=O)c1ccccc12
InChIInChI=1S/C15H19NO/c1-10(2)11-7-8-15(9-11)13-6-4-3-5-12(13)14(17)16-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/t11-,15+/m1/s1
InChIKeyYOTZHNFTMZLBEW-ABAIWWIYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one?
The IUPAC name of (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one (CID 177291037) is (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one.
What is the SMILES notation for (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one?
The canonical SMILES for (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one is CC(C)[C@@H]1CC[C@@]2(C1)NC(=O)c1ccccc12.
What is the InChIKey of (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one?
The InChIKey is YOTZHNFTMZLBEW-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)11-7-8-15(9-11)13-6-4-3-5-12(13)14(17)16-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/t11-,15+/m1/s1.
What are the key properties of (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one?
(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 177291037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).