1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one

C12H19NO3 — CID 118173823

IUPAC1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one
SMILESO=C1NCCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C12H19NO3/c14-10-11(2-1-7-13-10)3-5-12(6-4-11)15-8-9-16-12/h1-9H2,(H,13,14)
InChIKeyPHGKQOGUEVZFFS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds

About 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one

1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one (PubChem CID 118173823) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one.

Molecular Properties

Compound Name1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one
PubChem CID118173823
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one
SMILESO=C1NCCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C12H19NO3/c14-10-11(2-1-7-13-10)3-5-12(6-4-11)15-8-9-16-12/h1-9H2,(H,13,14)
InChIKeyPHGKQOGUEVZFFS-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one?
The IUPAC name of 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one (CID 118173823) is 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one.
What is the SMILES notation for 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one?
The canonical SMILES for 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one is O=C1NCCCC12CCC1(CC2)OCCO1.
What is the InChIKey of 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one?
The InChIKey is PHGKQOGUEVZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10-11(2-1-7-13-10)3-5-12(6-4-11)15-8-9-16-12/h1-9H2,(H,13,14).
What are the key properties of 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one?
1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one has a molecular weight of 225.29 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-10-azadispiro[4.2.58.25]pentadecan-9-one is sourced from PubChem (CID 118173823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).