1H-pyrrolo[3,4-b]pyrrole-5-carboxamide

C7H7N3O — CID 141272011

IUPAC1H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESNC(=O)n1cc2cc[nH]c2c1
InChIInChI=1S/C7H7N3O/c8-7(11)10-3-5-1-2-9-6(5)4-10/h1-4,9H,(H2,8,11)
InChIKeyCFOTUIGPYHMGMD-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.90
Rot. Bonds

About 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide

1H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 141272011) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name1H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID141272011
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name1H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESNC(=O)n1cc2cc[nH]c2c1
InChIInChI=1S/C7H7N3O/c8-7(11)10-3-5-1-2-9-6(5)4-10/h1-4,9H,(H2,8,11)
InChIKeyCFOTUIGPYHMGMD-UHFFFAOYSA-N
XLogP0.90
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrolo[3,4-b]pyrrole-5-carboxylic acid
CID 150467473
tert-butyl 1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 141185155
carbamic acid;1H-indole
CID 66672708
hydroxyurea;1H-indole
CID 19379049
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(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole
CID 163856546
5-amino-1H-indole-6-carboxylic acid
CID 117273186
2-aminoacetic acid;1H-indole
CID 118109552
2-(1H-indol-5-yl)propanamide
CID 140559721
1H-indole;oxalyl dichloride
CID 87707386
acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The IUPAC name of 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 141272011) is 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide.
What is the SMILES notation for 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The canonical SMILES for 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide is NC(=O)n1cc2cc[nH]c2c1.
What is the InChIKey of 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is CFOTUIGPYHMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7(11)10-3-5-1-2-9-6(5)4-10/h1-4,9H,(H2,8,11).
What are the key properties of 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
1H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 149.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 141272011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).