1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine

C7H9N3 — CID 86022287

IUPAC1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine
SMILESC1=Cc2cc[nH]c2NNC1
InChIInChI=1S/C7H9N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8-10H,4H2
InChIKeyRXYVQCUVUUHBAJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.96
Rot. Bonds

About 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine

1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine (PubChem CID 86022287) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine.

Molecular Properties

Compound Name1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine
PubChem CID86022287
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine
SMILESC1=Cc2cc[nH]c2NNC1
InChIInChI=1S/C7H9N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8-10H,4H2
InChIKeyRXYVQCUVUUHBAJ-UHFFFAOYSA-N
XLogP0.96
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine?
The IUPAC name of 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine (CID 86022287) is 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine.
What is the SMILES notation for 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine?
The canonical SMILES for 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine is C1=Cc2cc[nH]c2NNC1.
What is the InChIKey of 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine?
The InChIKey is RXYVQCUVUUHBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8-10H,4H2.
What are the key properties of 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine?
1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine has a molecular weight of 135.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8-tetrahydropyrrolo[2,3-c]diazepine is sourced from PubChem (CID 86022287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).