1,2,3,7-tetrahydropyrrolo[3,4-c]azepine

C8H10N2 — CID 57288370

IUPAC1,2,3,7-tetrahydropyrrolo[3,4-c]azepine
SMILESC1=NC=C2CNCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-7-4-10-6-8(7)5-9-3-1/h2-3,5,10H,1,4,6H2
InChIKeyWKSMISHIOCFGIW-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine

1,2,3,7-tetrahydropyrrolo[3,4-c]azepine (PubChem CID 57288370) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine.

Molecular Properties

Compound Name1,2,3,7-tetrahydropyrrolo[3,4-c]azepine
PubChem CID57288370
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,3,7-tetrahydropyrrolo[3,4-c]azepine
SMILESC1=NC=C2CNCC2=CC1
InChIInChI=1S/C8H10N2/c1-2-7-4-10-6-8(7)5-9-3-1/h2-3,5,10H,1,4,6H2
InChIKeyWKSMISHIOCFGIW-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
CID 130295912
5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
CID 134404988
5-Methyl-1,2,3,5-tetrahydropyrrolo[2,3-c]azepine
CID 137507507
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]methanimine
CID 139409645
1,2,3,5-Tetrahydropyrrolo[2,3-c]azepine
CID 142155634
7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
CID 142291609
(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
CID 145230273
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine-7-thiol
CID 145598091
2,7-Dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
CID 155591008
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
CID 156042440

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine?
The IUPAC name of 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine (CID 57288370) is 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine.
What is the SMILES notation for 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine?
The canonical SMILES for 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine is C1=NC=C2CNCC2=CC1.
What is the InChIKey of 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine?
The InChIKey is WKSMISHIOCFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-4-10-6-8(7)5-9-3-1/h2-3,5,10H,1,4,6H2.
What are the key properties of 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine?
1,2,3,7-tetrahydropyrrolo[3,4-c]azepine has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7-tetrahydropyrrolo[3,4-c]azepine is sourced from PubChem (CID 57288370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).