4,5-dihydro-1H-1-benzazepine

C10H11N — CID 19989912

IUPAC4,5-dihydro-1H-1-benzazepine
SMILESC1=CNc2ccccc2CC1
InChIInChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,4-5,7-8,11H,3,6H2
InChIKeyJTBYEZCAUXIQJZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.56
Rot. Bonds

About 4,5-dihydro-1H-1-benzazepine

4,5-dihydro-1H-1-benzazepine (PubChem CID 19989912) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4,5-dihydro-1H-1-benzazepine.

Molecular Properties

Compound Name4,5-dihydro-1H-1-benzazepine
PubChem CID19989912
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4,5-dihydro-1H-1-benzazepine
SMILESC1=CNc2ccccc2CC1
InChIInChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,4-5,7-8,11H,3,6H2
InChIKeyJTBYEZCAUXIQJZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dihydroquinoline;hydrochloride
CID 70537011
1,4-dihydroquinoline;ethane;molecular hydrogen
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CID 102598891
1,2-dihydronaphthalene
CID 161389674
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
1,2-dihydronaphthalene
CID 9938
ethane;5,10,11,12-tetrahydrobenzo[b][1]benzazocine
CID 142101611
2,3-dihydro-1H-indole;2,3-dihydro-1H-pyrazole
CID 159210756
3,4-dihydro-1H-quinoline-2-thione
CID 3037435
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
1H-azepine;2,3-dihydro-1H-indole
CID 159350025

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-1-benzazepine?
The IUPAC name of 4,5-dihydro-1H-1-benzazepine (CID 19989912) is 4,5-dihydro-1H-1-benzazepine.
What is the SMILES notation for 4,5-dihydro-1H-1-benzazepine?
The canonical SMILES for 4,5-dihydro-1H-1-benzazepine is C1=CNc2ccccc2CC1.
What is the InChIKey of 4,5-dihydro-1H-1-benzazepine?
The InChIKey is JTBYEZCAUXIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,4-5,7-8,11H,3,6H2.
What are the key properties of 4,5-dihydro-1H-1-benzazepine?
4,5-dihydro-1H-1-benzazepine has a molecular weight of 145.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-1-benzazepine is sourced from PubChem (CID 19989912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).