(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one

C15H26N2O2 — CID 124521977

IUPAC(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CC[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-2-17-8-6-15(14(17)18)5-3-7-16(12-15)10-13-4-9-19-11-13/h13H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyMXXXYCCCNQEWCF-ZFWWWQNUSA-N
MW266.38 g/mol
LogP1.36
Rot. Bonds3

About (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one

(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 124521977) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID124521977
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CC[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1=O
InChIInChI=1S/C15H26N2O2/c1-2-17-8-6-15(14(17)18)5-3-7-16(12-15)10-13-4-9-19-11-13/h13H,2-12H2,1H3/t13-,15-/m0/s1
InChIKeyMXXXYCCCNQEWCF-ZFWWWQNUSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 124521977) is (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one is CCN1CC[C@]2(CCCN(C[C@@H]3CCOC3)C2)C1=O.
What is the InChIKey of (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MXXXYCCCNQEWCF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-17-8-6-15(14(17)18)5-3-7-16(12-15)10-13-4-9-19-11-13/h13H,2-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one?
(5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-9-[[(3S)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124521977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).