10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine

C22H21NO2 — CID 59572263

IUPAC10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3CCc3ccoc32)c2c1CCCO2
InChIInChI=1S/C22H21NO2/c1-15-8-11-20(21-18(15)6-4-13-24-21)23-19-7-3-2-5-16(19)9-10-17-12-14-25-22(17)23/h2-3,5,7-8,11-12,14H,4,6,9-10,13H2,1H3
InChIKeyIMKZBJSWBFNGLV-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.48
Rot. Bonds1

About 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine

10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine (PubChem CID 59572263) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine
PubChem CID59572263
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3CCc3ccoc32)c2c1CCCO2
InChIInChI=1S/C22H21NO2/c1-15-8-11-20(21-18(15)6-4-13-24-21)23-19-7-3-2-5-16(19)9-10-17-12-14-25-22(17)23/h2-3,5,7-8,11-12,14H,4,6,9-10,13H2,1H3
InChIKeyIMKZBJSWBFNGLV-UHFFFAOYSA-N
XLogP5.48
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The IUPAC name of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine (CID 59572263) is 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The canonical SMILES for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine is Cc1ccc(N2c3ccccc3CCc3ccoc32)c2c1CCCO2.
What is the InChIKey of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
The InChIKey is IMKZBJSWBFNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-8-11-20(21-18(15)6-4-13-24-21)23-19-7-3-2-5-16(19)9-10-17-12-14-25-22(17)23/h2-3,5,7-8,11-12,14H,4,6,9-10,13H2,1H3.
What are the key properties of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine?
10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine has a molecular weight of 331.42 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-4,5-dihydrofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).