2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole

C10H11NO — CID 122669064

IUPAC2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole
SMILESC1=CC2=C3CNCC3OC2C=C1
InChIInChI=1S/C10H11NO/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,9-11H,5-6H2
InChIKeyISUXQIPISSMTDZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.78
Rot. Bonds

About 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole

2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole (PubChem CID 122669064) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole
PubChem CID122669064
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole
SMILESC1=CC2=C3CNCC3OC2C=C1
InChIInChI=1S/C10H11NO/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,9-11H,5-6H2
InChIKeyISUXQIPISSMTDZ-UHFFFAOYSA-N
XLogP0.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole?
The IUPAC name of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole (CID 122669064) is 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole.
What is the SMILES notation for 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole?
The canonical SMILES for 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole is C1=CC2=C3CNCC3OC2C=C1.
What is the InChIKey of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole?
The InChIKey is ISUXQIPISSMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,9-11H,5-6H2.
What are the key properties of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole?
2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole has a molecular weight of 161.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole is sourced from PubChem (CID 122669064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).