1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

C9H16N2O2 — CID 84769432

IUPAC1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C9H16N2O2/c1-11-8(12)13-7-9(11)3-2-5-10-6-4-9/h10H,2-7H2,1H3
InChIKeyLSWWFLTXALQYSK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds

About 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 84769432) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID84769432
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C9H16N2O2/c1-11-8(12)13-7-9(11)3-2-5-10-6-4-9/h10H,2-7H2,1H3
InChIKeyLSWWFLTXALQYSK-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (CID 84769432) is 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is CN1C(=O)OCC12CCCNCC2.
What is the InChIKey of 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is LSWWFLTXALQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-8(12)13-7-9(11)3-2-5-10-6-4-9/h10H,2-7H2,1H3.
What are the key properties of 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 84769432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).