1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C9H16N2O2 — CID 83876405

IUPAC1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)N1C(=O)OCC12CCNC2
InChIInChI=1S/C9H16N2O2/c1-7(2)11-8(12)13-6-9(11)3-4-10-5-9/h7,10H,3-6H2,1-2H3
InChIKeyJGYUDOKVTHRGME-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83876405) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83876405
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)N1C(=O)OCC12CCNC2
InChIInChI=1S/C9H16N2O2/c1-7(2)11-8(12)13-6-9(11)3-4-10-5-9/h7,10H,3-6H2,1-2H3
InChIKeyJGYUDOKVTHRGME-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Pyrrolidin-3-yl)-1,3-oxazolidin-2-one
CID 62329303
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-2-carboxylate
CID 82386804
Tert-butyl 9-oxa-2,6-diazaspiro(4.5)decane-6-carboxylate
CID 82386805
3-Oxa-1,7-diazaspiro[4.4]nonan-2-one hydrochloride
CID 146675782
1-(2,2,2-Trifluoroethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 83891547
tert-butyl N-[3-(methoxymethyl)pyrrolidin-3-yl]carbamate
CID 19382229
4-(Pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57550256
4-Methyl-4-(pyrrolidin-1-ylmethyl)oxazolidin-2-one
CID 59355175
4-Methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one
CID 59355192
4-Methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride
CID 67309446
3-[(2S)-3-methyl-2-(methylamino)butyl]-1,3-oxazolidin-2-one
CID 68324199
4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 70970968

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 83876405) is 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is CC(C)N1C(=O)OCC12CCNC2.
What is the InChIKey of 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is JGYUDOKVTHRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)11-8(12)13-6-9(11)3-4-10-5-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83876405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).