1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole

C14H11N3O — CID 175423185

IUPAC1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
SMILESC1=NC2=CC=NC2=C1.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C6H4N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-3-7-6-2-4-8-5(1)6/h1-4H,5H2,(H,9,10);1-4H
InChIKeyRJHRMIRVYDLHNI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.10
Rot. Bonds

About 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole

1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole (PubChem CID 175423185) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
PubChem CID175423185
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
SMILESC1=NC2=CC=NC2=C1.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C6H4N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-3-7-6-2-4-8-5(1)6/h1-4H,5H2,(H,9,10);1-4H
InChIKeyRJHRMIRVYDLHNI-UHFFFAOYSA-N
XLogP2.10
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole (CID 175423185) is 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole is C1=NC2=CC=NC2=C1.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole?
The InChIKey is RJHRMIRVYDLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C6H4N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-3-7-6-2-4-8-5(1)6/h1-4H,5H2,(H,9,10);1-4H.
What are the key properties of 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole?
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole has a molecular weight of 237.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 175423185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).