4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

C12H21N3O2 — CID 138390786

IUPAC4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCOC(C)(C)C2
InChIInChI=1S/C12H21N3O2/c1-8(2)15-10(16)14-9(13)12(15)5-6-17-11(3,4)7-12/h8H,5-7H2,1-4H3,(H2,13,14,16)
InChIKeyWIYADMPUFHQVRA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.73
Rot. Bonds1

About 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390786) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390786
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C12CCOC(C)(C)C2
InChIInChI=1S/C12H21N3O2/c1-8(2)15-10(16)14-9(13)12(15)5-6-17-11(3,4)7-12/h8H,5-7H2,1-4H3,(H2,13,14,16)
InChIKeyWIYADMPUFHQVRA-UHFFFAOYSA-N
XLogP1.73
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1,7,7-trimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388521
4-imino-7,7-dimethyl-1-prop-2-ynyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389975
4-imino-5,5-dimethyl-1-propan-2-ylimidazolidin-2-one
CID 138390712
4-imino-1,8-di(propan-2-yl)-1,3-diazaspiro[4.6]undecan-2-one
CID 138390097
7-cyclopropyl-4-imino-1-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138390718
4-imino-7,8-dimethyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391273
4-imino-1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138390411
7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
CID 138389810
4-imino-1,6-di(propan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 138391382
2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 143147006
4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388776
4-imino-10-methyl-1-propan-2-yl-9-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138389733

Frequently Asked Questions

What is the IUPAC name of 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (CID 138390786) is 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C(C)C)C12CCOC(C)(C)C2.
What is the InChIKey of 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is WIYADMPUFHQVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)15-10(16)14-9(13)12(15)5-6-17-11(3,4)7-12/h8H,5-7H2,1-4H3,(H2,13,14,16).
What are the key properties of 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).