2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

C15H23NO3 — CID 127892280

IUPAC2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCOC2(CCOC2)C1
InChIInChI=1S/C15H23NO3/c17-14(10-13-4-2-1-3-5-13)16-7-9-19-15(11-16)6-8-18-12-15/h4H,1-3,5-12H2
InChIKeyXMMHJLNRDVKXJW-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.89
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone

2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (PubChem CID 127892280) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
PubChem CID127892280
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCOC2(CCOC2)C1
InChIInChI=1S/C15H23NO3/c17-14(10-13-4-2-1-3-5-13)16-7-9-19-15(11-16)6-8-18-12-15/h4H,1-3,5-12H2
InChIKeyXMMHJLNRDVKXJW-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727391
1-[2-(cyclohexen-1-yl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258940
(5R)-7-[2-(cyclohexen-1-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 95773358
N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138010392
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97476098
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419722
2-(cyclohexen-1-yl)-1-[(3S)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethanone
CID 129483951
6-[2-(cyclohexen-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175104
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406333
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45229164

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone (CID 127892280) is 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is O=C(CC1=CCCCC1)N1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is XMMHJLNRDVKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(10-13-4-2-1-3-5-13)16-7-9-19-15(11-16)6-8-18-12-15/h4H,1-3,5-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone?
2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 265.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 127892280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).