2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C15H17Cl2NO3 — CID 175799748

IUPAC2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)c(Cl)c1C1CC2CC(O)CC(=O)N2C1
InChIInChI=1S/C15H17Cl2NO3/c1-21-12-3-2-11(16)15(17)14(12)8-4-9-5-10(19)6-13(20)18(9)7-8/h2-3,8-10,19H,4-7H2,1H3
InChIKeySHQQOZUJWGIOET-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 175799748) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID175799748
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCOc1ccc(Cl)c(Cl)c1C1CC2CC(O)CC(=O)N2C1
InChIInChI=1S/C15H17Cl2NO3/c1-21-12-3-2-11(16)15(17)14(12)8-4-9-5-10(19)6-13(20)18(9)7-8/h2-3,8-10,19H,4-7H2,1H3
InChIKeySHQQOZUJWGIOET-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Related Compounds

7-(aminomethyl)-2-(2,3-dichloro-6-methoxyphenyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175799720
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 178128854
6-(2,3-dichloro-6-methoxyphenyl)-2-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 178128844
2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
CID 175761463
(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
CID 167009031
7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 130152346
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
(5S)-5-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-3,4-dihydro-2H-pyrrol-3-yl]piperidin-2-one
CID 170523157
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(3-chloro-4-propan-2-yloxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168701877

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 175799748) is 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is COc1ccc(Cl)c(Cl)c1C1CC2CC(O)CC(=O)N2C1.
What is the InChIKey of 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is SHQQOZUJWGIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-21-12-3-2-11(16)15(17)14(12)8-4-9-5-10(19)6-13(20)18(9)7-8/h2-3,8-10,19H,4-7H2,1H3.
What are the key properties of 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 330.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 175799748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).