3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

C60H80N4O4 — CID 158930147

About 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol

3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (PubChem CID 158930147) has the molecular formula C60H80N4O4 and a molecular weight of 921.32 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

Molecular Properties

• Compound Name: 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• PubChem CID: 158930147
• Molecular Formula: C60H80N4O4
• Molecular Weight: 921.32 g/mol
• Exact Mass: 920.62
• IUPAC Name: 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol
• SMILES: C=C(O)C(c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@@H](c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1
• InChI: InChI=1S/2C30H40N2O2/c2*1-22(33)30(28-14-4-3-13-27(28)23-10-8-11-23)32-19-18-26(21-32)34-20-7-6-12-25-17-16-24-9-2-5-15-29(24)31-25/h2*3-4,13-14,16-17,23,26,30,33H,1-2,5-12,15,18-21H2/t26-,30?;26-,30+/m11/s1
• InChIKey: JIYJDVQWCAZPSE-BCUMUTSMSA-N
• XLogP: 12.91
• TPSA: 91.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.32
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The IUPAC name of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol (CID 158930147) is 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol.

What is the SMILES notation for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The canonical SMILES for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is C=C(O)C(c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.C=C(O)[C@@H](c1ccccc1C1CCC1)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.

What is the InChIKey of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

The InChIKey is JIYJDVQWCAZPSE-BCUMUTSMSA-N. The full InChI is InChI=1S/2C30H40N2O2/c2*1-22(33)30(28-14-4-3-13-27(28)23-10-8-11-23)32-19-18-26(21-32)34-20-7-6-12-25-17-16-24-9-2-5-15-29(24)31-25/h2*3-4,13-14,16-17,23,26,30,33H,1-2,5-12,15,18-21H2/t26-,30?;26-,30+/m11/s1.

What are the key properties of 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol?

3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol has a molecular weight of 921.32 g/mol, XLogP of 12.91, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol;(3R)-3-(2-cyclobutylphenyl)-3-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]prop-1-en-2-ol is sourced from PubChem (CID 158930147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).