9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one

C18H15N3O — CID 175529808

IUPAC9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1Cc2[nH]ccc2N1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C6H6N2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9-6-3-5-4(8-6)1-2-7-5/h1-8,13H;1-2,7H,3H2,(H,8,9)
InChIKeyNOXOQDOJQPOMPD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.83
Rot. Bonds

About 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one

9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 175529808) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID175529808
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1Cc2[nH]ccc2N1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C6H6N2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9-6-3-5-4(8-6)1-2-7-5/h1-8,13H;1-2,7H,3H2,(H,8,9)
InChIKeyNOXOQDOJQPOMPD-UHFFFAOYSA-N
XLogP3.83
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91098062
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10H-acridin-9-one;ethane
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CID 158703465

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one (CID 175529808) is 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one is O=C1Cc2[nH]ccc2N1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is NOXOQDOJQPOMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C6H6N2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;9-6-3-5-4(8-6)1-2-7-5/h1-8,13H;1-2,7H,3H2,(H,8,9).
What are the key properties of 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one?
9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 289.34 g/mol, XLogP of 3.83, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;4,6-dihydro-1H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 175529808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).