3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C20H36N4O4 — CID 159740354

IUPAC3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2
InChIInChI=1S/2C10H18N2O2/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10/h2*3-8H2,1-2H3
InChIKeyNCJMBPQNEZXZNW-UHFFFAOYSA-N
MW396.53 g/mol
LogP1.85
Rot. Bonds

About 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 159740354) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID159740354
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Name3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2
InChIInChI=1S/2C10H18N2O2/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10/h2*3-8H2,1-2H3
InChIKeyNCJMBPQNEZXZNW-UHFFFAOYSA-N
XLogP1.85
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 67987626
7-methyl-2-[(1-methylpiperidin-4-yl)methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 155067148
2-(2-methyl-7-oxo-6-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 105485391
8-methyl-3-[2-[methyl(2-methylpropyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297
8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783416
6-methyl-1,2-dioxa-6-azaspiro[2.4]heptan-7-one
CID 139769508
3-sulfanyl-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 167118563
(5S)-7-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95872539
8-methyl-2-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 10444730

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 159740354) is 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CN1CCC2(CC1)CCN(C)C(=O)O2.CN1CCC2(CC1)CCN(C)C(=O)O2.
What is the InChIKey of 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is NCJMBPQNEZXZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O2/c2*1-11-6-3-10(4-7-11)5-8-12(2)9(13)14-10/h2*3-8H2,1-2H3.
What are the key properties of 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 396.53 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 159740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).