methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate

C24H26ClNO2 — CID 164560724

About methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate

methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate (PubChem CID 164560724) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate
• PubChem CID: 164560724
• Molecular Formula: C24H26ClNO2
• Molecular Weight: 395.93 g/mol
• Exact Mass: 395.17
• IUPAC Name: methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate
• SMILES: COC(=O)[C@@H]1CCN(C2CCc3cc(-c4ccc(C5CC5)c(Cl)c4)ccc32)C1
• InChI: InChI=1S/C24H26ClNO2/c1-28-24(27)19-10-11-26(14-19)23-9-6-18-12-16(5-8-21(18)23)17-4-7-20(15-2-3-15)22(25)13-17/h4-5,7-8,12-13,15,19,23H,2-3,6,9-11,14H2,1H3/t19-,23?/m1/s1
• InChIKey: APVJOQWKPRQUGJ-HWYAHNCWSA-N
• XLogP: 5.37
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.93
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate?

The IUPAC name of methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate (CID 164560724) is methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate.

What is the SMILES notation for methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate?

The canonical SMILES for methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CCN(C2CCc3cc(-c4ccc(C5CC5)c(Cl)c4)ccc32)C1.

What is the InChIKey of methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate?

The InChIKey is APVJOQWKPRQUGJ-HWYAHNCWSA-N. The full InChI is InChI=1S/C24H26ClNO2/c1-28-24(27)19-10-11-26(14-19)23-9-6-18-12-16(5-8-21(18)23)17-4-7-20(15-2-3-15)22(25)13-17/h4-5,7-8,12-13,15,19,23H,2-3,6,9-11,14H2,1H3/t19-,23?/m1/s1.

What are the key properties of methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate?

methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate has a molecular weight of 395.93 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (3R)-1-[5-(3-chloro-4-cyclopropylphenyl)-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 164560724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).