7-methylidene-5,6-dihydro-2-benzazepine

C11H11N — CID 90989910

IUPAC7-methylidene-5,6-dihydro-2-benzazepine
SMILESC=C1C=CC2=C(CC=CN=C2)C1
InChIInChI=1S/C11H11N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h2,4-6,8H,1,3,7H2
InChIKeyKBRKJBBOJOLLSD-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.79
Rot. Bonds

About 7-methylidene-5,6-dihydro-2-benzazepine

7-methylidene-5,6-dihydro-2-benzazepine (PubChem CID 90989910) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 7-methylidene-5,6-dihydro-2-benzazepine.

Molecular Properties

Compound Name7-methylidene-5,6-dihydro-2-benzazepine
PubChem CID90989910
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name7-methylidene-5,6-dihydro-2-benzazepine
SMILESC=C1C=CC2=C(CC=CN=C2)C1
InChIInChI=1S/C11H11N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h2,4-6,8H,1,3,7H2
InChIKeyKBRKJBBOJOLLSD-UHFFFAOYSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(5E)-2-fluorocycloocta-1,3,5-trien-1-yl]azete
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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-5,6-dihydro-2-benzazepine?
The IUPAC name of 7-methylidene-5,6-dihydro-2-benzazepine (CID 90989910) is 7-methylidene-5,6-dihydro-2-benzazepine.
What is the SMILES notation for 7-methylidene-5,6-dihydro-2-benzazepine?
The canonical SMILES for 7-methylidene-5,6-dihydro-2-benzazepine is C=C1C=CC2=C(CC=CN=C2)C1.
What is the InChIKey of 7-methylidene-5,6-dihydro-2-benzazepine?
The InChIKey is KBRKJBBOJOLLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-4-5-11-8-12-6-2-3-10(11)7-9/h2,4-6,8H,1,3,7H2.
What are the key properties of 7-methylidene-5,6-dihydro-2-benzazepine?
7-methylidene-5,6-dihydro-2-benzazepine has a molecular weight of 157.22 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-5,6-dihydro-2-benzazepine is sourced from PubChem (CID 90989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).