1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one

C10H16N2O2 — CID 167091633

IUPAC1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C)C2(COC2)C1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)12-5-4-11(2)10(6-12)7-14-8-10/h3H,1,4-8H2,2H3
InChIKeyZXMYWEOICRDEBF-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.28
Rot. Bonds1

About 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one

1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one (PubChem CID 167091633) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one
PubChem CID167091633
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C)C2(COC2)C1
InChIInChI=1S/C10H16N2O2/c1-3-9(13)12-5-4-11(2)10(6-12)7-14-8-10/h3H,1,4-8H2,2H3
InChIKeyZXMYWEOICRDEBF-UHFFFAOYSA-N
XLogP-0.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,1-dimethyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115830
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
but-2-enedioic acid;1-morpholin-4-ylprop-2-en-1-one
CID 158662750
1-[8-(5-methylfuran-2-yl)-1-oxa-5,8-diazaspiro[2.5]octan-5-yl]prop-2-en-1-one
CID 171550386
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
(E)-5-[2-[(dimethylamino)methyl]-4-prop-2-enoylpiperazin-1-yl]-1-(5-propan-2-yl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)hex-2-en-1-one
CID 174010387
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide
CID 139015440
1-[7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 97392820

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one?
The IUPAC name of 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one (CID 167091633) is 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one?
The canonical SMILES for 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one is C=CC(=O)N1CCN(C)C2(COC2)C1.
What is the InChIKey of 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one?
The InChIKey is ZXMYWEOICRDEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-9(13)12-5-4-11(2)10(6-12)7-14-8-10/h3H,1,4-8H2,2H3.
What are the key properties of 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one?
1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)prop-2-en-1-one is sourced from PubChem (CID 167091633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).