2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one

C14H13Cl2NO2 — CID 54733308

IUPAC2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESO=C1C(c2ccc(Cl)cc2Cl)=C(O)C2CCCCN12
InChIInChI=1S/C14H13Cl2NO2/c15-8-4-5-9(10(16)7-8)12-13(18)11-3-1-2-6-17(11)14(12)19/h4-5,7,11,18H,1-3,6H2
InChIKeyNBZSFLPNIZOVCT-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.66
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one

2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 54733308) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID54733308
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESO=C1C(c2ccc(Cl)cc2Cl)=C(O)C2CCCCN12
InChIInChI=1S/C14H13Cl2NO2/c15-8-4-5-9(10(16)7-8)12-13(18)11-3-1-2-6-17(11)14(12)19/h4-5,7,11,18H,1-3,6H2
InChIKeyNBZSFLPNIZOVCT-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 54733308) is 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one is O=C1C(c2ccc(Cl)cc2Cl)=C(O)C2CCCCN12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is NBZSFLPNIZOVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c15-8-4-5-9(10(16)7-8)12-13(18)11-3-1-2-6-17(11)14(12)19/h4-5,7,11,18H,1-3,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 298.17 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 54733308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).