2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole

C19H17Cl2N — CID 67203062

IUPAC2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole
SMILESC=C1c2cc(Cl)cc(Cl)c2C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C19H17Cl2N/c1-12-15-7-14(20)8-18(21)19(15)17-11-22(10-16(12)17)9-13-5-3-2-4-6-13/h2-8,16-17H,1,9-11H2
InChIKeyABIQUHHTMLLXDR-UHFFFAOYSA-N
MW330.26 g/mol
LogP5.24
Rot. Bonds2

About 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole

2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole (PubChem CID 67203062) has the molecular formula C19H17Cl2N and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole
PubChem CID67203062
Molecular FormulaC19H17Cl2N
Molecular Weight330.26 g/mol
Exact Mass329.07
IUPAC Name2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole
SMILESC=C1c2cc(Cl)cc(Cl)c2C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C19H17Cl2N/c1-12-15-7-14(20)8-18(21)19(15)17-11-22(10-16(12)17)9-13-5-3-2-4-6-13/h2-8,16-17H,1,9-11H2
InChIKeyABIQUHHTMLLXDR-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole?
The IUPAC name of 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole (CID 67203062) is 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole is C=C1c2cc(Cl)cc(Cl)c2C2CN(Cc3ccccc3)CC12.
What is the InChIKey of 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole?
The InChIKey is ABIQUHHTMLLXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N/c1-12-15-7-14(20)8-18(21)19(15)17-11-22(10-16(12)17)9-13-5-3-2-4-6-13/h2-8,16-17H,1,9-11H2.
What are the key properties of 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole?
2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole has a molecular weight of 330.26 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6,8-dichloro-4-methylidene-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 67203062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).