(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C19H26N2O2 — CID 97126477

About (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97126477) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 97126477
• Molecular Formula: C19H26N2O2
• Molecular Weight: 314.43 g/mol
• Exact Mass: 314.20
• IUPAC Name: (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1ccccc1/C=C/CN1CC[C@@]2(CCCN(C)C2=O)C1
• InChI: InChI=1S/C19H26N2O2/c1-20-12-6-10-19(18(20)22)11-14-21(15-19)13-5-8-16-7-3-4-9-17(16)23-2/h3-5,7-9H,6,10-15H2,1-2H3/b8-5+/t19-/m0/s1
• InChIKey: QQIOOKVAGNDGMJ-MEQKGCOVSA-N
• XLogP: 2.65
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.43
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 97126477) is (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is COc1ccccc1/C=C/CN1CC[C@@]2(CCCN(C)C2=O)C1.

What is the InChIKey of (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is QQIOOKVAGNDGMJ-MEQKGCOVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20-12-6-10-19(18(20)22)11-14-21(15-19)13-5-8-16-7-3-4-9-17(16)23-2/h3-5,7-9H,6,10-15H2,1-2H3/b8-5+/t19-/m0/s1.

What are the key properties of (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?

(5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97126477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).