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

C10H12ClNO — CID 122669063

IUPAC2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride
SMILESC1=CC2=C3CNCC3OC2C=C1.Cl
InChIInChI=1S/C10H11NO.ClH/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-4,9-11H,5-6H2;1H
InChIKeyFFFNVIJLIQSVHB-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.20
Rot. Bonds

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

2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride (PubChem CID 122669063) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride
PubChem CID122669063
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride
SMILESC1=CC2=C3CNCC3OC2C=C1.Cl
InChIInChI=1S/C10H11NO.ClH/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-4,9-11H,5-6H2;1H
InChIKeyFFFNVIJLIQSVHB-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.20
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;hydrochloride?
The IUPAC name of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride (CID 122669063) is 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride.
What is the SMILES notation for 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride?
The canonical SMILES for 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride is C1=CC2=C3CNCC3OC2C=C1.Cl.
What is the InChIKey of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride?
The InChIKey is FFFNVIJLIQSVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-4,9-11H,5-6H2;1H.
What are the key properties of 2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride?
2,3,3a,4a-tetrahydro-1H-[1]benzofuro[2,3-c]pyrrole;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 122669063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).