[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone

C20H19BrN2O2 — CID 68860133

IUPAC[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(N1CCC2(C1)OCc1cnccc12)C1(c2ccccc2Br)CC1
InChIInChI=1S/C20H19BrN2O2/c21-17-4-2-1-3-16(17)19(6-7-19)18(24)23-10-8-20(13-23)15-5-9-22-11-14(15)12-25-20/h1-5,9,11H,6-8,10,12-13H2
InChIKeyZEAUHLCPBMVHQZ-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.53
Rot. Bonds2

About [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone

[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone (PubChem CID 68860133) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone
PubChem CID68860133
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone
SMILESO=C(N1CCC2(C1)OCc1cnccc12)C1(c2ccccc2Br)CC1
InChIInChI=1S/C20H19BrN2O2/c21-17-4-2-1-3-16(17)19(6-7-19)18(24)23-10-8-20(13-23)15-5-9-22-11-14(15)12-25-20/h1-5,9,11H,6-8,10,12-13H2
InChIKeyZEAUHLCPBMVHQZ-UHFFFAOYSA-N
XLogP3.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone?
The IUPAC name of [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone (CID 68860133) is [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone.
What is the SMILES notation for [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone?
The canonical SMILES for [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone is O=C(N1CCC2(C1)OCc1cnccc12)C1(c2ccccc2Br)CC1.
What is the InChIKey of [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone?
The InChIKey is ZEAUHLCPBMVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-17-4-2-1-3-16(17)19(6-7-19)18(24)23-10-8-20(13-23)15-5-9-22-11-14(15)12-25-20/h1-5,9,11H,6-8,10,12-13H2.
What are the key properties of [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone?
[1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone has a molecular weight of 399.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)cyclopropyl]-spiro[3H-furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-ylmethanone is sourced from PubChem (CID 68860133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).