2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide

C13H13ClN2O2 — CID 13368795

IUPAC2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CC2Cc3c(Cl)cccc3C21
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(10)4-7-5-12(18)16(13(7)8)6-11(15)17/h1-3,7,13H,4-6H2,(H2,15,17)
InChIKeyBNZZYIGNUBJYPQ-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide

2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide (PubChem CID 13368795) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide
PubChem CID13368795
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide
SMILESNC(=O)CN1C(=O)CC2Cc3c(Cl)cccc3C21
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(10)4-7-5-12(18)16(13(7)8)6-11(15)17/h1-3,7,13H,4-6H2,(H2,15,17)
InChIKeyBNZZYIGNUBJYPQ-UHFFFAOYSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide (CID 13368795) is 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide is NC(=O)CN1C(=O)CC2Cc3c(Cl)cccc3C21.
What is the InChIKey of 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide?
The InChIKey is BNZZYIGNUBJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-10-3-1-2-8-9(10)4-7-5-12(18)16(13(7)8)6-11(15)17/h1-3,7,13H,4-6H2,(H2,15,17).
What are the key properties of 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide?
2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide has a molecular weight of 264.71 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-1-yl)acetamide is sourced from PubChem (CID 13368795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).