(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one

C9H16N2O — CID 125041552

IUPAC(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
SMILESCN1C[C@@]2(CCCCN2)CC1=O
InChIInChI=1S/C9H16N2O/c1-11-7-9(6-8(11)12)4-2-3-5-10-9/h10H,2-7H2,1H3/t9-/m1/s1
InChIKeySMEDQQBBVYKYKS-SECBINFHSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds

About (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one

(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 125041552) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
PubChem CID125041552
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
SMILESCN1C[C@@]2(CCCCN2)CC1=O
InChIInChI=1S/C9H16N2O/c1-11-7-9(6-8(11)12)4-2-3-5-10-9/h10H,2-7H2,1H3/t9-/m1/s1
InChIKeySMEDQQBBVYKYKS-SECBINFHSA-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 (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one (CID 125041552) is (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one is CN1C[C@@]2(CCCCN2)CC1=O.
What is the InChIKey of (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is SMEDQQBBVYKYKS-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-7-9(6-8(11)12)4-2-3-5-10-9/h10H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one?
(5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-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 (5R)-2-methyl-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 125041552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).