9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one

C13H19NO3 — CID 10728572

IUPAC9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one
SMILESCN1C=CC(=O)CC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H19NO3/c1-14-7-2-11(15)10-12(14)3-5-13(6-4-12)16-8-9-17-13/h2,7H,3-6,8-10H2,1H3
InChIKeyGODFLONUJFLBIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds

About 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one

9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one (PubChem CID 10728572) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one.

Molecular Properties

Compound Name9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one
PubChem CID10728572
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one
SMILESCN1C=CC(=O)CC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H19NO3/c1-14-7-2-11(15)10-12(14)3-5-13(6-4-12)16-8-9-17-13/h2,7H,3-6,8-10H2,1H3
InChIKeyGODFLONUJFLBIZ-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
CID 164582213
CID 164582213
1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067704
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohex-2-en-1-one
CID 155930758
(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
CID 11384722
CID 11384722
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274
(8'aR)-8'a-methylspiro[1,3-dioxolane-2,6'-3,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 11183650
8-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 21134196
9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 58230108

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one?
The IUPAC name of 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one (CID 10728572) is 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one.
What is the SMILES notation for 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one?
The canonical SMILES for 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one is CN1C=CC(=O)CC12CCC1(CC2)OCCO1.
What is the InChIKey of 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one?
The InChIKey is GODFLONUJFLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-7-2-11(15)10-12(14)3-5-13(6-4-12)16-8-9-17-13/h2,7H,3-6,8-10H2,1H3.
What are the key properties of 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one?
9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one has a molecular weight of 237.30 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,4-dioxa-9-azadispiro[4.2.58.25]pentadec-10-en-12-one is sourced from PubChem (CID 10728572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).