2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine

C12H13NO — CID 82655710

IUPAC2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine
SMILESc1ccc2c3c(oc2c1)CCNCC3
InChIInChI=1S/C12H13NO/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13H,5-8H2
InChIKeyIMUAMXGGXQWFFQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.12
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine

2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine (PubChem CID 82655710) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine
PubChem CID82655710
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine
SMILESc1ccc2c3c(oc2c1)CCNCC3
InChIInChI=1S/C12H13NO/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13H,5-8H2
InChIKeyIMUAMXGGXQWFFQ-UHFFFAOYSA-N
XLogP2.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine (CID 82655710) is 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine is c1ccc2c3c(oc2c1)CCNCC3.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine?
The InChIKey is IMUAMXGGXQWFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-4-11-9(3-1)10-5-7-13-8-6-12(10)14-11/h1-4,13H,5-8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine?
2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine has a molecular weight of 187.24 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-[1]benzofuro[2,3-d]azepine is sourced from PubChem (CID 82655710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).