8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H24N2O3 — CID 70729490

IUPAC8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(/C=C/CN2CCC3(CC2)CN(C)C(=O)O3)cc1
InChIInChI=1S/C18H24N2O3/c1-19-14-18(23-17(19)21)9-12-20(13-10-18)11-3-4-15-5-7-16(22-2)8-6-15/h3-8H,9-14H2,1-2H3/b4-3+
InChIKeyWQPPZURMIOKFRE-ONEGZZNKSA-N
MW316.40 g/mol
LogP2.62
Rot. Bonds4

About 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70729490) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70729490
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(/C=C/CN2CCC3(CC2)CN(C)C(=O)O3)cc1
InChIInChI=1S/C18H24N2O3/c1-19-14-18(23-17(19)21)9-12-20(13-10-18)11-3-4-15-5-7-16(22-2)8-6-15/h3-8H,9-14H2,1-2H3/b4-3+
InChIKeyWQPPZURMIOKFRE-ONEGZZNKSA-N
XLogP2.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70729490) is 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ccc(/C=C/CN2CCC3(CC2)CN(C)C(=O)O3)cc1.
What is the InChIKey of 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WQPPZURMIOKFRE-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-19-14-18(23-17(19)21)9-12-20(13-10-18)11-3-4-15-5-7-16(22-2)8-6-15/h3-8H,9-14H2,1-2H3/b4-3+.
What are the key properties of 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70729490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).