1,7-dihydropyrrolo[3,2-c]azepine

C8H8N2 — CID 56997363

IUPAC1,7-dihydropyrrolo[3,2-c]azepine
SMILESC1=NC=c2cc[nH]c2=CC1
InChIInChI=1S/C8H8N2/c1-2-8-7(3-5-10-8)6-9-4-1/h2-6,10H,1H2
InChIKeyIOUHFKGJRGOQSC-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.01
Rot. Bonds

About 1,7-dihydropyrrolo[3,2-c]azepine

1,7-dihydropyrrolo[3,2-c]azepine (PubChem CID 56997363) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,7-dihydropyrrolo[3,2-c]azepine.

Molecular Properties

Compound Name1,7-dihydropyrrolo[3,2-c]azepine
PubChem CID56997363
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,7-dihydropyrrolo[3,2-c]azepine
SMILESC1=NC=c2cc[nH]c2=CC1
InChIInChI=1S/C8H8N2/c1-2-8-7(3-5-10-8)6-9-4-1/h2-6,10H,1H2
InChIKeyIOUHFKGJRGOQSC-UHFFFAOYSA-N
XLogP0.01
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrido[3,2-c]azepine
CID 129706333
4,5-Dihydropyrroloquinoxaline
CID 138756856
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
Cyclopenta[a][4,7]phenanthroline
CID 129753063
Dihydropyrrolo[3,2-c]azepine
CID 129861020
4-Fluoro-1,5-dihydropyrrolo[2,3-c]azepine-8-carbonitrile
CID 142987041
1,2,3,7-Tetrahydropyrrolo[3,4-c]azepine
CID 57288370
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
1,5,8,8a-Tetrahydropyrrolo[2,3-c]azepine
CID 58443044
8-Aza-1-azoniatricyclo[8.3.0.03,7]trideca-1(13),3(7),5,10-tetraene
CID 58669499
6,7-Dihydro-1,7-naphthyridine
CID 58988416

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrrolo[3,2-c]azepine?
The IUPAC name of 1,7-dihydropyrrolo[3,2-c]azepine (CID 56997363) is 1,7-dihydropyrrolo[3,2-c]azepine.
What is the SMILES notation for 1,7-dihydropyrrolo[3,2-c]azepine?
The canonical SMILES for 1,7-dihydropyrrolo[3,2-c]azepine is C1=NC=c2cc[nH]c2=CC1.
What is the InChIKey of 1,7-dihydropyrrolo[3,2-c]azepine?
The InChIKey is IOUHFKGJRGOQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-8-7(3-5-10-8)6-9-4-1/h2-6,10H,1H2.
What are the key properties of 1,7-dihydropyrrolo[3,2-c]azepine?
1,7-dihydropyrrolo[3,2-c]azepine has a molecular weight of 132.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrrolo[3,2-c]azepine is sourced from PubChem (CID 56997363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).