4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine

C19H22N2O — CID 120855860

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1COc2ccccc2CN1Cc1cccc2c1NCC2
InChIInChI=1S/C19H22N2O/c1-14-13-22-18-8-3-2-5-16(18)11-21(14)12-17-7-4-6-15-9-10-20-19(15)17/h2-8,14,20H,9-13H2,1H3
InChIKeyZFNXVGMWOZYQJN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.44
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine

4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 120855860) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID120855860
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1COc2ccccc2CN1Cc1cccc2c1NCC2
InChIInChI=1S/C19H22N2O/c1-14-13-22-18-8-3-2-5-16(18)11-21(14)12-17-7-4-6-15-9-10-20-19(15)17/h2-8,14,20H,9-13H2,1H3
InChIKeyZFNXVGMWOZYQJN-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine (CID 120855860) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine is CC1COc2ccccc2CN1Cc1cccc2c1NCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is ZFNXVGMWOZYQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-13-22-18-8-3-2-5-16(18)11-21(14)12-17-7-4-6-15-9-10-20-19(15)17/h2-8,14,20H,9-13H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 294.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 120855860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).