3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine

C9H10N2 — CID 143713219

IUPAC3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine
SMILESCC1=CN=C2NC=CC=CC12
InChIInChI=1S/C9H10N2/c1-7-6-11-9-8(7)4-2-3-5-10-9/h2-6,8H,1H3,(H,10,11)
InChIKeyHUVOQUGEILULSL-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.59
Rot. Bonds

About 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine

3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine (PubChem CID 143713219) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine.

Molecular Properties

Compound Name3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine
PubChem CID143713219
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine
SMILESCC1=CN=C2NC=CC=CC12
InChIInChI=1S/C9H10N2/c1-7-6-11-9-8(7)4-2-3-5-10-9/h2-6,8H,1H3,(H,10,11)
InChIKeyHUVOQUGEILULSL-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3a,8-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

N-butyl-1,3-dihydroazepin-2-imine
CID 137197350
3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 10080549
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
1,4,4a,7-Tetrahydro-1,8-naphthyridine
CID 91040809
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952
(3Z)-N-ethenyl-3-(3-methyl-2-methylidenebutylidene)pyrrol-2-amine
CID 130179056
(3Z)-N-ethenyl-3-(4-methylpent-1-en-3-ylidene)pyrrol-2-amine
CID 130179057
5-Methyl-2,3,5,8-tetrahydropyrrolo[2,3-b]azepine
CID 132065976
N-ethenyl-N'-[(1Z,3E)-3-methyl-4-propan-2-ylhexa-1,3,5-trienyl]ethanimidamide
CID 134214378
N,3,6-trimethyl-1,3-dihydroazepin-2-imine
CID 137084627
(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine
CID 137255174
5,5-dimethyl-1H-pyrrolo[2,3-b]azepine
CID 143500219

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine?
The IUPAC name of 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine (CID 143713219) is 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine.
What is the SMILES notation for 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine?
The canonical SMILES for 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine is CC1=CN=C2NC=CC=CC12.
What is the InChIKey of 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine?
The InChIKey is HUVOQUGEILULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-6-11-9-8(7)4-2-3-5-10-9/h2-6,8H,1H3,(H,10,11).
What are the key properties of 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine?
3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine has a molecular weight of 146.19 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,8-dihydropyrrolo[2,3-b]azepine is sourced from PubChem (CID 143713219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).