6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

C11H10ClNO — CID 13368796

IUPAC6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2Cc3cc(Cl)ccc3C2N1
InChIInChI=1S/C11H10ClNO/c12-8-1-2-9-6(4-8)3-7-5-10(14)13-11(7)9/h1-2,4,7,11H,3,5H2,(H,13,14)
InChIKeyZSERYONRSVJMCG-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.07
Rot. Bonds

About 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (PubChem CID 13368796) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
PubChem CID13368796
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2Cc3cc(Cl)ccc3C2N1
InChIInChI=1S/C11H10ClNO/c12-8-1-2-9-6(4-8)3-7-5-10(14)13-11(7)9/h1-2,4,7,11H,3,5H2,(H,13,14)
InChIKeyZSERYONRSVJMCG-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The IUPAC name of 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (CID 13368796) is 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The canonical SMILES for 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is O=C1CC2Cc3cc(Cl)ccc3C2N1.
What is the InChIKey of 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The InChIKey is ZSERYONRSVJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-8-1-2-9-6(4-8)3-7-5-10(14)13-11(7)9/h1-2,4,7,11H,3,5H2,(H,13,14).
What are the key properties of 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one has a molecular weight of 207.66 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 13368796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).