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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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).