3-methyl-2,4-dihydrobenzo[h][3]benzazepine

C15H15N — CID 138708569

IUPAC3-methyl-2,4-dihydrobenzo[h][3]benzazepine
SMILESCN1CC=c2cc3ccccc3cc2=CC1
InChIInChI=1S/C15H15N/c1-16-8-6-14-10-12-4-2-3-5-13(12)11-15(14)7-9-16/h2-7,10-11H,8-9H2,1H3
InChIKeyOMUVVZBPULHBRP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.35
Rot. Bonds

About 3-methyl-2,4-dihydrobenzo[h][3]benzazepine

3-methyl-2,4-dihydrobenzo[h][3]benzazepine (PubChem CID 138708569) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-2,4-dihydrobenzo[h][3]benzazepine.

Molecular Properties

Compound Name3-methyl-2,4-dihydrobenzo[h][3]benzazepine
PubChem CID138708569
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name3-methyl-2,4-dihydrobenzo[h][3]benzazepine
SMILESCN1CC=c2cc3ccccc3cc2=CC1
InChIInChI=1S/C15H15N/c1-16-8-6-14-10-12-4-2-3-5-13(12)11-15(14)7-9-16/h2-7,10-11H,8-9H2,1H3
InChIKeyOMUVVZBPULHBRP-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dihydrobenzo[h][3]benzazepine?
The IUPAC name of 3-methyl-2,4-dihydrobenzo[h][3]benzazepine (CID 138708569) is 3-methyl-2,4-dihydrobenzo[h][3]benzazepine.
What is the SMILES notation for 3-methyl-2,4-dihydrobenzo[h][3]benzazepine?
The canonical SMILES for 3-methyl-2,4-dihydrobenzo[h][3]benzazepine is CN1CC=c2cc3ccccc3cc2=CC1.
What is the InChIKey of 3-methyl-2,4-dihydrobenzo[h][3]benzazepine?
The InChIKey is OMUVVZBPULHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-16-8-6-14-10-12-4-2-3-5-13(12)11-15(14)7-9-16/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-methyl-2,4-dihydrobenzo[h][3]benzazepine?
3-methyl-2,4-dihydrobenzo[h][3]benzazepine has a molecular weight of 209.29 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dihydrobenzo[h][3]benzazepine is sourced from PubChem (CID 138708569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).