(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one

C16H22N2O — CID 58237227

IUPAC(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one
SMILESCc1cccc(C2CC[C@]3(CCC[C@H](N)C3)C2=O)n1
InChIInChI=1S/C16H22N2O/c1-11-4-2-6-14(18-11)13-7-9-16(15(13)19)8-3-5-12(17)10-16/h2,4,6,12-13H,3,5,7-10,17H2,1H3/t12-,13?,16-/m0/s1
InChIKeySCOLPDSVGYUWLE-BSBHGOPBSA-N
MW258.36 g/mol
LogP2.72
Rot. Bonds1

About (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one

(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one (PubChem CID 58237227) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one
PubChem CID58237227
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one
SMILESCc1cccc(C2CC[C@]3(CCC[C@H](N)C3)C2=O)n1
InChIInChI=1S/C16H22N2O/c1-11-4-2-6-14(18-11)13-7-9-16(15(13)19)8-3-5-12(17)10-16/h2,4,6,12-13H,3,5,7-10,17H2,1H3/t12-,13?,16-/m0/s1
InChIKeySCOLPDSVGYUWLE-BSBHGOPBSA-N
XLogP2.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one?
The IUPAC name of (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one (CID 58237227) is (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one.
What is the SMILES notation for (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one?
The canonical SMILES for (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one is Cc1cccc(C2CC[C@]3(CCC[C@H](N)C3)C2=O)n1.
What is the InChIKey of (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one?
The InChIKey is SCOLPDSVGYUWLE-BSBHGOPBSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-4-2-6-14(18-11)13-7-9-16(15(13)19)8-3-5-12(17)10-16/h2,4,6,12-13H,3,5,7-10,17H2,1H3/t12-,13?,16-/m0/s1.
What are the key properties of (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one?
(5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one has a molecular weight of 258.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-amino-3-(6-methyl-2-pyridinyl)spiro[4.5]decan-4-one is sourced from PubChem (CID 58237227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).