9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one

C12H21NO2 — CID 103439796

IUPAC9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
SMILESCCCN1CCCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H21NO2/c1-2-8-13-9-3-5-12(7-10-13)6-4-11(14)15-12/h2-10H2,1H3
InChIKeyBRCOOGPBXPDIBC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.96
Rot. Bonds2

About 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one

9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one (PubChem CID 103439796) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
PubChem CID103439796
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one
SMILESCCCN1CCCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H21NO2/c1-2-8-13-9-3-5-12(7-10-13)6-4-11(14)15-12/h2-10H2,1H3
InChIKeyBRCOOGPBXPDIBC-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one?
The IUPAC name of 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one (CID 103439796) is 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one is CCCN1CCCC2(CCC(=O)O2)CC1.
What is the InChIKey of 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one?
The InChIKey is BRCOOGPBXPDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-8-13-9-3-5-12(7-10-13)6-4-11(14)15-12/h2-10H2,1H3.
What are the key properties of 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one?
9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-1-oxa-9-azaspiro[4.6]undecan-2-one is sourced from PubChem (CID 103439796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).