4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine

C8H10N2 — CID 91011601

IUPAC4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine
SMILESC1=NCC2N=CC=C2CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-10-8(7)6-9-4-1/h3-5,8H,1-2,6H2
InChIKeyGUIJXTMOLLWMNZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

About 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine

4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine (PubChem CID 91011601) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine.

Molecular Properties

Compound Name4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine
PubChem CID91011601
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine
SMILESC1=NCC2N=CC=C2CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-10-8(7)6-9-4-1/h3-5,8H,1-2,6H2
InChIKeyGUIJXTMOLLWMNZ-UHFFFAOYSA-N
XLogP1.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
7,7a-dihydro-3H-pyrrolo[2,3-c]pyridine
CID 91086728
3,5,8,8a-Tetrahydro-1,7-naphthyridine
CID 91087833
2,5-dimethyl-3,4-dihydro-2H-azepine
CID 91410236
3,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 123253906
5-(3,4-dihydro-2H-pyrrol-5-yl)-2,3-dihydropyridine
CID 146620666
2,3,4,6-Tetrahydro-1,7-naphthyridine
CID 173310181
2,3-diethyl-2H-pyrrole
CID 142363663
2-(3,4-dihydro-2H-azepin-2-yl)prop-2-en-1-imine
CID 170977370

Frequently Asked Questions

What is the IUPAC name of 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine?
The IUPAC name of 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine (CID 91011601) is 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine.
What is the SMILES notation for 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine?
The canonical SMILES for 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine is C1=NCC2N=CC=C2CC1.
What is the InChIKey of 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine?
The InChIKey is GUIJXTMOLLWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-10-8(7)6-9-4-1/h3-5,8H,1-2,6H2.
What are the key properties of 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine?
4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine has a molecular weight of 134.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8,8a-tetrahydropyrrolo[2,3-c]azepine is sourced from PubChem (CID 91011601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).