1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine

C19H19NO2 — CID 24814967

IUPAC1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine
SMILESCOc1ccc2c(c1)cc1n2CCCc2cccc(OC)c2-1
InChIInChI=1S/C19H19NO2/c1-21-15-8-9-16-14(11-15)12-17-19-13(6-4-10-20(16)17)5-3-7-18(19)22-2/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyHSOMHNVNOBJSHR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds2

About 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine

1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine (PubChem CID 24814967) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine.

Molecular Properties

Compound Name1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine
PubChem CID24814967
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine
SMILESCOc1ccc2c(c1)cc1n2CCCc2cccc(OC)c2-1
InChIInChI=1S/C19H19NO2/c1-21-15-8-9-16-14(11-15)12-17-19-13(6-4-10-20(16)17)5-3-7-18(19)22-2/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyHSOMHNVNOBJSHR-UHFFFAOYSA-N
XLogP4.27
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine?
The IUPAC name of 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine (CID 24814967) is 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine.
What is the SMILES notation for 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine?
The canonical SMILES for 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine is COc1ccc2c(c1)cc1n2CCCc2cccc(OC)c2-1.
What is the InChIKey of 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine?
The InChIKey is HSOMHNVNOBJSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-15-8-9-16-14(11-15)12-17-19-13(6-4-10-20(16)17)5-3-7-18(19)22-2/h3,5,7-9,11-12H,4,6,10H2,1-2H3.
What are the key properties of 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine?
1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine has a molecular weight of 293.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine is sourced from PubChem (CID 24814967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).