4-methyl-4,5-dihydro-3H-2-benzazepine

C11H13N — CID 90790076

IUPAC4-methyl-4,5-dihydro-3H-2-benzazepine
SMILESCC1CN=Cc2ccccc2C1
InChIInChI=1S/C11H13N/c1-9-6-10-4-2-3-5-11(10)8-12-7-9/h2-5,8-9H,6-7H2,1H3
InChIKeyDQHYPTHNZLQGJN-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.30
Rot. Bonds

About 4-methyl-4,5-dihydro-3H-2-benzazepine

4-methyl-4,5-dihydro-3H-2-benzazepine (PubChem CID 90790076) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methyl-4,5-dihydro-3H-2-benzazepine.

Molecular Properties

Compound Name4-methyl-4,5-dihydro-3H-2-benzazepine
PubChem CID90790076
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-methyl-4,5-dihydro-3H-2-benzazepine
SMILESCC1CN=Cc2ccccc2C1
InChIInChI=1S/C11H13N/c1-9-6-10-4-2-3-5-11(10)8-12-7-9/h2-5,8-9H,6-7H2,1H3
InChIKeyDQHYPTHNZLQGJN-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydro-3H-2-benzazepine?
The IUPAC name of 4-methyl-4,5-dihydro-3H-2-benzazepine (CID 90790076) is 4-methyl-4,5-dihydro-3H-2-benzazepine.
What is the SMILES notation for 4-methyl-4,5-dihydro-3H-2-benzazepine?
The canonical SMILES for 4-methyl-4,5-dihydro-3H-2-benzazepine is CC1CN=Cc2ccccc2C1.
What is the InChIKey of 4-methyl-4,5-dihydro-3H-2-benzazepine?
The InChIKey is DQHYPTHNZLQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-6-10-4-2-3-5-11(10)8-12-7-9/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-methyl-4,5-dihydro-3H-2-benzazepine?
4-methyl-4,5-dihydro-3H-2-benzazepine has a molecular weight of 159.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydro-3H-2-benzazepine is sourced from PubChem (CID 90790076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).