2-methyl-1-oxa-5-azacyclotridecane-6,13-dione

C12H21NO3 — CID 71819182

IUPAC2-methyl-1-oxa-5-azacyclotridecane-6,13-dione
SMILESCC1CCNC(=O)CCCCCCC(=O)O1
InChIInChI=1S/C12H21NO3/c1-10-8-9-13-11(14)6-4-2-3-5-7-12(15)16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyRBKVZBDTEAPOIM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.78
Rot. Bonds

About 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione

2-methyl-1-oxa-5-azacyclotridecane-6,13-dione (PubChem CID 71819182) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione.

Molecular Properties

Compound Name2-methyl-1-oxa-5-azacyclotridecane-6,13-dione
PubChem CID71819182
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-1-oxa-5-azacyclotridecane-6,13-dione
SMILESCC1CCNC(=O)CCCCCCC(=O)O1
InChIInChI=1S/C12H21NO3/c1-10-8-9-13-11(14)6-4-2-3-5-7-12(15)16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyRBKVZBDTEAPOIM-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
6-methyloxan-2-one
CID 160564586
6-methyloxan-2-one;oxepan-2-one
CID 167589650
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
5-methyloxolan-2-one
CID 69397003
azepan-2-one;ethane
CID 91592472
azepan-2-one;cyclohexane
CID 70248400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione?
The IUPAC name of 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione (CID 71819182) is 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione.
What is the SMILES notation for 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione?
The canonical SMILES for 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione is CC1CCNC(=O)CCCCCCC(=O)O1.
What is the InChIKey of 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione?
The InChIKey is RBKVZBDTEAPOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-8-9-13-11(14)6-4-2-3-5-7-12(15)16-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione?
2-methyl-1-oxa-5-azacyclotridecane-6,13-dione has a molecular weight of 227.30 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxa-5-azacyclotridecane-6,13-dione is sourced from PubChem (CID 71819182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).