9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane

C17H23NO3 — CID 127265694

IUPAC9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ccccc1C=CCN1CCCC2(C1)OCCO2
InChIInChI=1S/C17H23NO3/c1-19-16-8-3-2-6-15(16)7-4-10-18-11-5-9-17(14-18)20-12-13-21-17/h2-4,6-8H,5,9-14H2,1H3
InChIKeyRIXOHTXCLXQIDQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds4

About 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 127265694) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID127265694
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ccccc1C=CCN1CCCC2(C1)OCCO2
InChIInChI=1S/C17H23NO3/c1-19-16-8-3-2-6-15(16)7-4-10-18-11-5-9-17(14-18)20-12-13-21-17/h2-4,6-8H,5,9-14H2,1H3
InChIKeyRIXOHTXCLXQIDQ-UHFFFAOYSA-N
XLogP2.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-methoxyethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97137890
(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97126477
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 75439448
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
methyl 3-fluoro-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylate
CID 84594370
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
(6R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97154134
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 134005407
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754931

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 127265694) is 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane is COc1ccccc1C=CCN1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is RIXOHTXCLXQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-19-16-8-3-2-6-15(16)7-4-10-18-11-5-9-17(14-18)20-12-13-21-17/h2-4,6-8H,5,9-14H2,1H3.
What are the key properties of 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 289.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-methoxyphenyl)prop-2-enyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 127265694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).