4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C11H18N2O2 — CID 19814342

IUPAC4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCNCC2
InChIInChI=1S/C11H18N2O2/c1-8(2)13-9(3)11(15-10(13)14)4-6-12-7-5-11/h8,12H,3-7H2,1-2H3
InChIKeyNYRFNXWHFLZVPH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.48
Rot. Bonds1

About 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814342) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814342
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C(C)C)C(=O)OC12CCNCC2
InChIInChI=1S/C11H18N2O2/c1-8(2)13-9(3)11(15-10(13)14)4-6-12-7-5-11/h8,12H,3-7H2,1-2H3
InChIKeyNYRFNXWHFLZVPH-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814342) is 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C(C)C)C(=O)OC12CCNCC2.
What is the InChIKey of 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NYRFNXWHFLZVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)13-9(3)11(15-10(13)14)4-6-12-7-5-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).