9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

C19H27N3O2 — CID 56754931

IUPAC9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1ccccc1/C=C/CN1CCC2(CC1)C(=O)NCCN2C
InChIInChI=1S/C19H27N3O2/c1-21-15-11-20-18(23)19(21)9-13-22(14-10-19)12-5-7-16-6-3-4-8-17(16)24-2/h3-8H,9-15H2,1-2H3,(H,20,23)/b7-5+
InChIKeyZFXDFWXUOGZSHW-FNORWQNLSA-N
MW329.44 g/mol
LogP1.60
Rot. Bonds4

About 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56754931) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56754931
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1ccccc1/C=C/CN1CCC2(CC1)C(=O)NCCN2C
InChIInChI=1S/C19H27N3O2/c1-21-15-11-20-18(23)19(21)9-13-22(14-10-19)12-5-7-16-6-3-4-8-17(16)24-2/h3-8H,9-15H2,1-2H3,(H,20,23)/b7-5+
InChIKeyZFXDFWXUOGZSHW-FNORWQNLSA-N
XLogP1.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56754931) is 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is COc1ccccc1/C=C/CN1CCC2(CC1)C(=O)NCCN2C.
What is the InChIKey of 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ZFXDFWXUOGZSHW-FNORWQNLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-15-11-20-18(23)19(21)9-13-22(14-10-19)12-5-7-16-6-3-4-8-17(16)24-2/h3-8H,9-15H2,1-2H3,(H,20,23)/b7-5+.
What are the key properties of 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one?
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 329.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56754931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).