2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride

C19H21Cl2N — CID 70062910

IUPAC2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride
SMILESCN1C(Cc2ccc(Cl)cc2)CC2Cc3ccccc3C21.Cl
InChIInChI=1S/C19H20ClN.ClH/c1-21-17(10-13-6-8-16(20)9-7-13)12-15-11-14-4-2-3-5-18(14)19(15)21;/h2-9,15,17,19H,10-12H2,1H3;1H
InChIKeyMKKYXUQUZBPRRT-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.92
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride

2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride (PubChem CID 70062910) has the molecular formula C19H21Cl2N and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride
PubChem CID70062910
Molecular FormulaC19H21Cl2N
Molecular Weight334.29 g/mol
Exact Mass333.11
IUPAC Name2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride
SMILESCN1C(Cc2ccc(Cl)cc2)CC2Cc3ccccc3C21.Cl
InChIInChI=1S/C19H20ClN.ClH/c1-21-17(10-13-6-8-16(20)9-7-13)12-15-11-14-4-2-3-5-18(14)19(15)21;/h2-9,15,17,19H,10-12H2,1H3;1H
InChIKeyMKKYXUQUZBPRRT-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride (CID 70062910) is 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride is CN1C(Cc2ccc(Cl)cc2)CC2Cc3ccccc3C21.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride?
The InChIKey is MKKYXUQUZBPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN.ClH/c1-21-17(10-13-6-8-16(20)9-7-13)12-15-11-14-4-2-3-5-18(14)19(15)21;/h2-9,15,17,19H,10-12H2,1H3;1H.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride?
2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-methyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrole;hydrochloride is sourced from PubChem (CID 70062910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).