(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one

C13H19NO — CID 163847322

IUPAC(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one
SMILESCC1C[C@@H]2[C@@H]3C1CC[C@@H]3[C@@]21CNC(=O)C1
InChIInChI=1S/C13H19NO/c1-7-4-10-12-8(7)2-3-9(12)13(10)5-11(15)14-6-13/h7-10,12H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10+,12+,13+/m0/s1
InChIKeyORHNAXQXZWRKRW-YLEAEIENSA-N
MW205.30 g/mol
LogP1.80
Rot. Bonds

About (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one

(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one (PubChem CID 163847322) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one.

Molecular Properties

Compound Name(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one
PubChem CID163847322
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one
SMILESCC1C[C@@H]2[C@@H]3C1CC[C@@H]3[C@@]21CNC(=O)C1
InChIInChI=1S/C13H19NO/c1-7-4-10-12-8(7)2-3-9(12)13(10)5-11(15)14-6-13/h7-10,12H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10+,12+,13+/m0/s1
InChIKeyORHNAXQXZWRKRW-YLEAEIENSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,9-dimethyl-2-azaspiro[4.5]decan-3-one
CID 66109117
(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
3'-methylspiro[bicyclo[3.1.0]hexane-2,4'-piperidine]-2',6'-dione
CID 130525151
3-(2,3-dimethylcyclobutyl)pyrrolidine-2,5-dione
CID 130729555
4-cyclohexyl-4-methylpyrrolidin-2-one
CID 66108681
(1R,5S)-spiro[bicyclo[3.2.0]heptane-3,4'-pyrrolidine]-2'-one
CID 59093997
4,4,6-trimethylbicyclo[3.2.0]heptan-2-one
CID 130037421
(6S,8aS,9S,11S,12aR)-6-hydroxy-9,11-dimethyl-1,5,6,7,8,8a,9,10,11,12a-decahydrobenzo[d]azecine-2,4,12-trione
CID 139585529
5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one
CID 164646993
(3aR,6R,6aS)-3,3,6-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-one
CID 12658230
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 97010257

Frequently Asked Questions

What is the IUPAC name of (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one?
The IUPAC name of (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one (CID 163847322) is (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one.
What is the SMILES notation for (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one?
The canonical SMILES for (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one is CC1C[C@@H]2[C@@H]3C1CC[C@@H]3[C@@]21CNC(=O)C1.
What is the InChIKey of (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one?
The InChIKey is ORHNAXQXZWRKRW-YLEAEIENSA-N. The full InChI is InChI=1S/C13H19NO/c1-7-4-10-12-8(7)2-3-9(12)13(10)5-11(15)14-6-13/h7-10,12H,2-6H2,1H3,(H,14,15)/t7?,8?,9-,10+,12+,13+/m0/s1.
What are the key properties of (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one?
(1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one has a molecular weight of 205.30 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3'R,4R,9'R)-5'-methylspiro[pyrrolidine-4,2'-tricyclo[4.2.1.03,9]nonane]-2-one is sourced from PubChem (CID 163847322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).