9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one

C11H17NO3 — CID 58230108

IUPAC9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
SMILESO=C1NCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C11H17NO3/c13-9-10(5-6-12-9)1-3-11(4-2-10)14-7-8-15-11/h1-8H2,(H,12,13)
InChIKeyVOTHTBBQNLDSGA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds

About 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one

9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one (PubChem CID 58230108) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one.

Molecular Properties

Compound Name9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
PubChem CID58230108
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
SMILESO=C1NCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C11H17NO3/c13-9-10(5-6-12-9)1-3-11(4-2-10)14-7-8-15-11/h1-8H2,(H,12,13)
InChIKeyVOTHTBBQNLDSGA-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-10-azadispiro[4.2.4^{8}.2^{5}]tetradecan-11-one
CID 57795414
3-Methyl-3-(3-(2-methyl-1,3-dioxolan-2-yl)propyl)-2-pyrrolidinone
CID 379162
5(R)-methyl-3(S)-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-pyrrolidin-2-one
CID 18394796
9,12-Dioxa-3-azadispiro[4.2.48.25]tetradecane-2,4-dione
CID 20357559
3-[2-(2-Methyl-1,3-dioxolan-2-yl)ethyl]-2-pyrrolidinone
CID 20641814
5-Methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 22008797
5-(1,4-Dioxaspiro[4.5]decan-8-yl)pyrrolidin-2-one
CID 68003854
12-Oxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 68290283
Tetrakis(decan-2-one);9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 68290481
9,12-Dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one;tetradecan-6-one
CID 68290482
4-Oxa-11-azadispiro[4.2.48.25]tetradecan-10-one
CID 69255467
1,4-Dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one
CID 118173823

Frequently Asked Questions

What is the IUPAC name of 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one?
The IUPAC name of 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one (CID 58230108) is 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one.
What is the SMILES notation for 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one?
The canonical SMILES for 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one is O=C1NCCC12CCC1(CC2)OCCO1.
What is the InChIKey of 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one?
The InChIKey is VOTHTBBQNLDSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-10(5-6-12-9)1-3-11(4-2-10)14-7-8-15-11/h1-8H2,(H,12,13).
What are the key properties of 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one?
9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one is sourced from PubChem (CID 58230108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).