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

C9H16N2O — CID 178086456

IUPAC(5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC[C@]12CCCNC2
InChIInChI=1S/C9H16N2O/c1-11-8(12)3-5-9(11)4-2-6-10-7-9/h10H,2-7H2,1H3/t9-/m0/s1
InChIKeyATECAPODXHAEBH-VIFPVBQESA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds

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

(5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 178086456) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID178086456
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC[C@]12CCCNC2
InChIInChI=1S/C9H16N2O/c1-11-8(12)3-5-9(11)4-2-6-10-7-9/h10H,2-7H2,1H3/t9-/m0/s1
InChIKeyATECAPODXHAEBH-VIFPVBQESA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one (CID 178086456) is (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one is CN1C(=O)CC[C@]12CCCNC2.
What is the InChIKey of (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ATECAPODXHAEBH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8(12)3-5-9(11)4-2-6-10-7-9/h10H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one?
(5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 178086456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).