1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

C10H18N2O2 — CID 83880329

IUPAC1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)(C)N1C(=O)OCC12CCNC2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)12-8(13)14-7-10(12)4-5-11-6-10/h11H,4-7H2,1-3H3
InChIKeyRXRWNUXBHQPXCW-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds

About 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 83880329) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID83880329
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESCC(C)(C)N1C(=O)OCC12CCNC2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)12-8(13)14-7-10(12)4-5-11-6-10/h11H,4-7H2,1-3H3
InChIKeyRXRWNUXBHQPXCW-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829
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-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
4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 70970968
Tert-butyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83911559
1,1-Dimethylethyl (3S)-3-[(3R)-tetrahydrofuran-3-ylamino]pyrrolidine-1-carboxylate
CID 86609372

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 83880329) is 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is CC(C)(C)N1C(=O)OCC12CCNC2.
What is the InChIKey of 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is RXRWNUXBHQPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2,3)12-8(13)14-7-10(12)4-5-11-6-10/h11H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 83880329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).