8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

C18H16ClNO2 — CID 67918755

IUPAC8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C23CCCN2C(=O)c2ccc(Cl)cc23)cc1
InChIInChI=1S/C18H16ClNO2/c1-22-14-6-3-12(4-7-14)18-9-2-10-20(18)17(21)15-8-5-13(19)11-16(15)18/h3-8,11H,2,9-10H2,1H3
InChIKeyRGVAOQRFAQTETF-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.84
Rot. Bonds2

About 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (PubChem CID 67918755) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
PubChem CID67918755
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESCOc1ccc(C23CCCN2C(=O)c2ccc(Cl)cc23)cc1
InChIInChI=1S/C18H16ClNO2/c1-22-14-6-3-12(4-7-14)18-9-2-10-20(18)17(21)15-8-5-13(19)11-16(15)18/h3-8,11H,2,9-10H2,1H3
InChIKeyRGVAOQRFAQTETF-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The IUPAC name of 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (CID 67918755) is 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.
What is the SMILES notation for 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The canonical SMILES for 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is COc1ccc(C23CCCN2C(=O)c2ccc(Cl)cc23)cc1.
What is the InChIKey of 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The InChIKey is RGVAOQRFAQTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-22-14-6-3-12(4-7-14)18-9-2-10-20(18)17(21)15-8-5-13(19)11-16(15)18/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one has a molecular weight of 313.78 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9b-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is sourced from PubChem (CID 67918755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).