3,8-dihydropyrrolo[2,3-c]diazepine

C7H7N3 — CID 137297957

IUPAC3,8-dihydropyrrolo[2,3-c]diazepine
SMILESC1=Cc2cc[nH]c2N=NC1
InChIInChI=1S/C7H7N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8H,4H2
InChIKeyUFMNCXGROYPPBK-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.13
Rot. Bonds

About 3,8-dihydropyrrolo[2,3-c]diazepine

3,8-dihydropyrrolo[2,3-c]diazepine (PubChem CID 137297957) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3,8-dihydropyrrolo[2,3-c]diazepine.

Molecular Properties

Compound Name3,8-dihydropyrrolo[2,3-c]diazepine
PubChem CID137297957
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name3,8-dihydropyrrolo[2,3-c]diazepine
SMILESC1=Cc2cc[nH]c2N=NC1
InChIInChI=1S/C7H7N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8H,4H2
InChIKeyUFMNCXGROYPPBK-UHFFFAOYSA-N
XLogP2.13
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dihydropyrrolo[2,3-c]diazepine?
The IUPAC name of 3,8-dihydropyrrolo[2,3-c]diazepine (CID 137297957) is 3,8-dihydropyrrolo[2,3-c]diazepine.
What is the SMILES notation for 3,8-dihydropyrrolo[2,3-c]diazepine?
The canonical SMILES for 3,8-dihydropyrrolo[2,3-c]diazepine is C1=Cc2cc[nH]c2N=NC1.
What is the InChIKey of 3,8-dihydropyrrolo[2,3-c]diazepine?
The InChIKey is UFMNCXGROYPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-6-3-5-8-7(6)10-9-4-1/h1-3,5,8H,4H2.
What are the key properties of 3,8-dihydropyrrolo[2,3-c]diazepine?
3,8-dihydropyrrolo[2,3-c]diazepine has a molecular weight of 133.15 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydropyrrolo[2,3-c]diazepine is sourced from PubChem (CID 137297957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).