2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one

C12H19NO3 — CID 165462683

IUPAC2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one
SMILESCC1CC2(CO1)CC(=O)NC21CCOCC1
InChIInChI=1S/C12H19NO3/c1-9-6-11(8-16-9)7-10(14)13-12(11)2-4-15-5-3-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOHDAJIWNHFKHJD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.85
Rot. Bonds

About 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one

2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one (PubChem CID 165462683) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one.

Molecular Properties

Compound Name2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one
PubChem CID165462683
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one
SMILESCC1CC2(CO1)CC(=O)NC21CCOCC1
InChIInChI=1S/C12H19NO3/c1-9-6-11(8-16-9)7-10(14)13-12(11)2-4-15-5-3-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyOHDAJIWNHFKHJD-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-oxa-3-thia-13-azadispiro[5.0.57.36]pentadecan-14-one
CID 165466878
11-oxa-15-azadispiro[5.0.57.36]pentadecan-14-one
CID 165467497
1,7-dimethyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66107621
1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
CID 82720327
1,1,7,7,9-pentamethyl-2-azaspiro[4.5]decan-3-one
CID 66107420
6,6,8-trimethyl-1-azaspiro[3.5]nonan-2-one
CID 64664078
(3R)-3-methyl-2,9-dioxaspiro[5.5]undecane
CID 146427994
9-oxa-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 170903891
5-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 130878381
10-methyl-5-propan-2-yl-9-oxa-3-azaspiro[5.5]undecane-2,4-dione
CID 79321636
1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
8-oxa-2,5-diazaspiro[3.6]decan-6-one;dihydrochloride
CID 139019988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one?
The IUPAC name of 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one (CID 165462683) is 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one.
What is the SMILES notation for 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one?
The canonical SMILES for 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one is CC1CC2(CO1)CC(=O)NC21CCOCC1.
What is the InChIKey of 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one?
The InChIKey is OHDAJIWNHFKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-11(8-16-9)7-10(14)13-12(11)2-4-15-5-3-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one?
2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one has a molecular weight of 225.29 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,9-dioxa-12-azadispiro[4.0.56.35]tetradecan-13-one is sourced from PubChem (CID 165462683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).