1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one

C11H18N2O2 — CID 162762111

IUPAC1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H18N2O2/c1-2-10(14)13-7-8-15-11(9-13)3-5-12-6-4-11/h2,12H,1,3-9H2
InChIKeyZDRKDOGJOSRBOG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds1

About 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one

1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one (PubChem CID 162762111) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one
PubChem CID162762111
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H18N2O2/c1-2-10(14)13-7-8-15-11(9-13)3-5-12-6-4-11/h2,12H,1,3-9H2
InChIKeyZDRKDOGJOSRBOG-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one (CID 162762111) is 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one is C=CC(=O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one?
The InChIKey is ZDRKDOGJOSRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-10(14)13-7-8-15-11(9-13)3-5-12-6-4-11/h2,12H,1,3-9H2.
What are the key properties of 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one?
1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)prop-2-en-1-one is sourced from PubChem (CID 162762111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).