9-methyl-6,7-dihydro-5aH-3-benzazepine

C11H13N — CID 123380171

IUPAC9-methyl-6,7-dihydro-5aH-3-benzazepine
SMILESCC1=CCCC2C=CN=CC=C12
InChIInChI=1S/C11H13N/c1-9-3-2-4-10-5-7-12-8-6-11(9)10/h3,5-8,10H,2,4H2,1H3
InChIKeyGHOJWODLURISSY-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.87
Rot. Bonds

About 9-methyl-6,7-dihydro-5aH-3-benzazepine

9-methyl-6,7-dihydro-5aH-3-benzazepine (PubChem CID 123380171) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 9-methyl-6,7-dihydro-5aH-3-benzazepine.

Molecular Properties

Compound Name9-methyl-6,7-dihydro-5aH-3-benzazepine
PubChem CID123380171
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name9-methyl-6,7-dihydro-5aH-3-benzazepine
SMILESCC1=CCCC2C=CN=CC=C12
InChIInChI=1S/C11H13N/c1-9-3-2-4-10-5-7-12-8-6-11(9)10/h3,5-8,10H,2,4H2,1H3
InChIKeyGHOJWODLURISSY-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-Methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),8,10,12-tetraene
CID 70374207
2-Methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),7,9,11-tetraene
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(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
10-Methyl-17-azatetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2,4,7,13,15,17-heptaene
CID 85929365
5-Methyl-4a,8a-dihydroisoquinoline
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7,8-Dimethyl-6,7-dihydroisoquinoline
CID 89495198
5,7-Dimethyl-6,7-dihydroisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7-dihydro-5aH-3-benzazepine?
The IUPAC name of 9-methyl-6,7-dihydro-5aH-3-benzazepine (CID 123380171) is 9-methyl-6,7-dihydro-5aH-3-benzazepine.
What is the SMILES notation for 9-methyl-6,7-dihydro-5aH-3-benzazepine?
The canonical SMILES for 9-methyl-6,7-dihydro-5aH-3-benzazepine is CC1=CCCC2C=CN=CC=C12.
What is the InChIKey of 9-methyl-6,7-dihydro-5aH-3-benzazepine?
The InChIKey is GHOJWODLURISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-3-2-4-10-5-7-12-8-6-11(9)10/h3,5-8,10H,2,4H2,1H3.
What are the key properties of 9-methyl-6,7-dihydro-5aH-3-benzazepine?
9-methyl-6,7-dihydro-5aH-3-benzazepine has a molecular weight of 159.23 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7-dihydro-5aH-3-benzazepine is sourced from PubChem (CID 123380171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).