3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine

C16H27NO2 — CID 102902839

IUPAC3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCC2(CCCC2)O1)CC1COCCN1
InChIInChI=1S/C16H27NO2/c1-13(10-14-12-18-9-8-17-14)11-15-4-7-16(19-15)5-2-3-6-16/h11,14-15,17H,2-10,12H2,1H3
InChIKeyVWLFJAIARKYEMG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.80
Rot. Bonds3

About 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine

3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine (PubChem CID 102902839) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine
PubChem CID102902839
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine
SMILESCC(=CC1CCC2(CCCC2)O1)CC1COCCN1
InChIInChI=1S/C16H27NO2/c1-13(10-14-12-18-9-8-17-14)11-15-4-7-16(19-15)5-2-3-6-16/h11,14-15,17H,2-10,12H2,1H3
InChIKeyVWLFJAIARKYEMG-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine
CID 102902717
4-(1-Oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
CID 102902806
(3Z)-3-(1-oxaspiro[4.4]nonan-2-ylmethylidene)piperidine
CID 102902809
2-[2-Methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]piperidine
CID 102902835
2-[2-Methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]piperidine
CID 102902836
3-[2-Methyl-3-(1-oxaspiro[4.5]decan-2-yl)prop-2-enyl]morpholine
CID 102902837
3-[(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-enyl]morpholine
CID 103143073
2-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]piperidine
CID 104889629
3-[3-(5,5-Dimethyloxolan-2-yl)-2-methylprop-2-enyl]morpholine
CID 104889630

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine?
The IUPAC name of 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine (CID 102902839) is 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine?
The canonical SMILES for 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine is CC(=CC1CCC2(CCCC2)O1)CC1COCCN1.
What is the InChIKey of 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine?
The InChIKey is VWLFJAIARKYEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(10-14-12-18-9-8-17-14)11-15-4-7-16(19-15)5-2-3-6-16/h11,14-15,17H,2-10,12H2,1H3.
What are the key properties of 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine?
3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine has a molecular weight of 265.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 102902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).