5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole

C6H5N3O — CID 162907750

IUPAC5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole
SMILESO=Nc1cc2[nH]ccc2[nH]1
InChIInChI=1S/C6H5N3O/c10-9-6-3-5-4(8-6)1-2-7-5/h1-3,7-8H
InChIKeyVMJFHEOMDQSOIY-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.89
Rot. Bonds1

About 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole

5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole (PubChem CID 162907750) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole
PubChem CID162907750
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole
SMILESO=Nc1cc2[nH]ccc2[nH]1
InChIInChI=1S/C6H5N3O/c10-9-6-3-5-4(8-6)1-2-7-5/h1-3,7-8H
InChIKeyVMJFHEOMDQSOIY-UHFFFAOYSA-N
XLogP1.89
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,4-dihydropyrrolo[3,2-b]pyrrol-5-amine
CID 141134864
5,9,14,18-tetrazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 163691592
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
2-nitroso-1H-pyrrol-3-olate
CID 154242802
7-bromo-1,5-dihydropyrrolo[3,2-c]quinolin-4-one
CID 172560088
1,4-dihydropyrrolo[2,3-d]pyrazole
CID 135621753
5-ethyl-6-methyl-1H-indole
CID 89488982
diethyl 2,5-bis(1,4-dihydropyrrolo[3,2-b]pyrrol-5-yl)-3,6-dimethylbenzene-1,4-dicarboxylate
CID 163814978
3,9-dihydropyrrolo[3,2-b]carbazole
CID 57114710
5-ethyl-6-methyl-1H-indole;molecular hydrogen
CID 163372322
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole (CID 162907750) is 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole is O=Nc1cc2[nH]ccc2[nH]1.
What is the InChIKey of 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole?
The InChIKey is VMJFHEOMDQSOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-9-6-3-5-4(8-6)1-2-7-5/h1-3,7-8H.
What are the key properties of 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole?
5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole has a molecular weight of 135.13 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1,4-dihydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 162907750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).