acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one

C9H16N2O4 — CID 21268372

IUPACacetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)O.O=C1NCC2(CCNCC2)O1
InChIInChI=1S/C7H12N2O2.C2H4O2/c10-6-9-5-7(11-6)1-3-8-4-2-7;1-2(3)4/h8H,1-5H2,(H,9,10);1H3,(H,3,4)
InChIKeyYWCYIDKETHLQRE-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.06
Rot. Bonds

About acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one

acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 21268372) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Nameacetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID21268372
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameacetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(=O)O.O=C1NCC2(CCNCC2)O1
InChIInChI=1S/C7H12N2O2.C2H4O2/c10-6-9-5-7(11-6)1-3-8-4-2-7;1-2(3)4/h8H,1-5H2,(H,9,10);1H3,(H,3,4)
InChIKeyYWCYIDKETHLQRE-UHFFFAOYSA-N
XLogP-0.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 21268372) is acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(=O)O.O=C1NCC2(CCNCC2)O1.
What is the InChIKey of acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YWCYIDKETHLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C2H4O2/c10-6-9-5-7(11-6)1-3-8-4-2-7;1-2(3)4/h8H,1-5H2,(H,9,10);1H3,(H,3,4).
What are the key properties of acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one?
acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 216.24 g/mol, XLogP of -0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 21268372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).