8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C23H27N3O2 — CID 4997901

IUPAC8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccccc1C=CCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-28-21-12-6-5-8-19(21)9-7-15-25-16-13-23(14-17-25)22(27)24-18-26(23)20-10-3-2-4-11-20/h2-12H,13-18H2,1H3,(H,24,27)
InChIKeyJYNNPAGPBXRILO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.14
Rot. Bonds5

About 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 4997901) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID4997901
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCOc1ccccc1C=CCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-28-21-12-6-5-8-19(21)9-7-15-25-16-13-23(14-17-25)22(27)24-18-26(23)20-10-3-2-4-11-20/h2-12H,13-18H2,1H3,(H,24,27)
InChIKeyJYNNPAGPBXRILO-UHFFFAOYSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 4997901) is 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is COc1ccccc1C=CCN1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is JYNNPAGPBXRILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-21-12-6-5-8-19(21)9-7-15-25-16-13-23(14-17-25)22(27)24-18-26(23)20-10-3-2-4-11-20/h2-12H,13-18H2,1H3,(H,24,27).
What are the key properties of 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 4997901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).