6-chloro-1,5-dihydropyrrolo[2,3-b]azepine

C8H7ClN2 — CID 143712823

IUPAC6-chloro-1,5-dihydropyrrolo[2,3-b]azepine
SMILESClC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C8H7ClN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11)
InChIKeyMHSGDLVKMOXUAJ-UHFFFAOYSA-N
MW166.61 g/mol
LogP0.90
Rot. Bonds

About 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine

6-chloro-1,5-dihydropyrrolo[2,3-b]azepine (PubChem CID 143712823) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name6-chloro-1,5-dihydropyrrolo[2,3-b]azepine
PubChem CID143712823
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name6-chloro-1,5-dihydropyrrolo[2,3-b]azepine
SMILESClC1=CN=c2[nH]ccc2=CC1
InChIInChI=1S/C8H7ClN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11)
InChIKeyMHSGDLVKMOXUAJ-UHFFFAOYSA-N
XLogP0.90
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89259806
(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89260859
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
4-Chloro-6-ethyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123414169
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(3E)-3-(1-chloro-3-methylidenepentylidene)-N-methyl-1H-pyrrol-2-imine
CID 137299626
(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
CID 142308881
6-Bromo-1,5-dihydropyrrolo[2,3-b]azepine
CID 143020055
5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
CID 143500219
5-Chloro-1,5,6,7-tetrahydropyrrolo[2,3-b]azepine
CID 143712040
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
CID 143712066
(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143712549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine?
The IUPAC name of 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine (CID 143712823) is 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine.
What is the SMILES notation for 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine?
The canonical SMILES for 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine is ClC1=CN=c2[nH]ccc2=CC1.
What is the InChIKey of 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine?
The InChIKey is MHSGDLVKMOXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c9-7-2-1-6-3-4-10-8(6)11-5-7/h1,3-5H,2H2,(H,10,11).
What are the key properties of 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine?
6-chloro-1,5-dihydropyrrolo[2,3-b]azepine has a molecular weight of 166.61 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dihydropyrrolo[2,3-b]azepine is sourced from PubChem (CID 143712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).