1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine

C21H27NO — CID 135002190

IUPAC1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine
SMILESCCOC1=CC(c2ccccc2)=C2CCCCC12N1CCCC1
InChIInChI=1S/C21H27NO/c1-2-23-20-16-18(17-10-4-3-5-11-17)19-12-6-7-13-21(19,20)22-14-8-9-15-22/h3-5,10-11,16H,2,6-9,12-15H2,1H3
InChIKeyQUJFCJZZJKCBMW-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.78
Rot. Bonds4

About 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine

1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine (PubChem CID 135002190) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine
PubChem CID135002190
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine
SMILESCCOC1=CC(c2ccccc2)=C2CCCCC12N1CCCC1
InChIInChI=1S/C21H27NO/c1-2-23-20-16-18(17-10-4-3-5-11-17)19-12-6-7-13-21(19,20)22-14-8-9-15-22/h3-5,10-11,16H,2,6-9,12-15H2,1H3
InChIKeyQUJFCJZZJKCBMW-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine?
The IUPAC name of 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine (CID 135002190) is 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine.
What is the SMILES notation for 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine?
The canonical SMILES for 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine is CCOC1=CC(c2ccccc2)=C2CCCCC12N1CCCC1.
What is the InChIKey of 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine?
The InChIKey is QUJFCJZZJKCBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-23-20-16-18(17-10-4-3-5-11-17)19-12-6-7-13-21(19,20)22-14-8-9-15-22/h3-5,10-11,16H,2,6-9,12-15H2,1H3.
What are the key properties of 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine?
1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1-phenyl-4,5,6,7-tetrahydroinden-3a-yl)pyrrolidine is sourced from PubChem (CID 135002190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).