7H-pyrrolo[1,2-a][1,4]diazepine

C8H8N2 — CID 21462556

IUPAC7H-pyrrolo[1,2-a][1,4]diazepine
SMILESC1=CN2CC=CC2=CN=C1
InChIInChI=1S/C8H8N2/c1-3-8-7-9-4-2-6-10(8)5-1/h1-4,6-7H,5H2
InChIKeyNHZIBKHDTHZSGW-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.30
Rot. Bonds

About 7H-pyrrolo[1,2-a][1,4]diazepine

7H-pyrrolo[1,2-a][1,4]diazepine (PubChem CID 21462556) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 7H-pyrrolo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name7H-pyrrolo[1,2-a][1,4]diazepine
PubChem CID21462556
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name7H-pyrrolo[1,2-a][1,4]diazepine
SMILESC1=CN2CC=CC2=CN=C1
InChIInChI=1S/C8H8N2/c1-3-8-7-9-4-2-6-10(8)5-1/h1-4,6-7H,5H2
InChIKeyNHZIBKHDTHZSGW-UHFFFAOYSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Pyrido[1,2-d][1,4]diazepine
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7,13-Diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
CID 135082434
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CID 90872
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6H-pyrido[1,2-a]pyrazine
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CID 54170759
Pyrazino[1,2-a]azepine
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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[1,2-a][1,4]diazepine?
The IUPAC name of 7H-pyrrolo[1,2-a][1,4]diazepine (CID 21462556) is 7H-pyrrolo[1,2-a][1,4]diazepine.
What is the SMILES notation for 7H-pyrrolo[1,2-a][1,4]diazepine?
The canonical SMILES for 7H-pyrrolo[1,2-a][1,4]diazepine is C1=CN2CC=CC2=CN=C1.
What is the InChIKey of 7H-pyrrolo[1,2-a][1,4]diazepine?
The InChIKey is NHZIBKHDTHZSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-3-8-7-9-4-2-6-10(8)5-1/h1-4,6-7H,5H2.
What are the key properties of 7H-pyrrolo[1,2-a][1,4]diazepine?
7H-pyrrolo[1,2-a][1,4]diazepine has a molecular weight of 132.17 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[1,2-a][1,4]diazepine is sourced from PubChem (CID 21462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).