3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one

C11H12N2O — CID 71343310

IUPAC3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one
SMILESO=C1CCC2Nc3ccccc3CN12
InChIInChI=1S/C11H12N2O/c14-11-6-5-10-12-9-4-2-1-3-8(9)7-13(10)11/h1-4,10,12H,5-7H2
InChIKeyALOLZHFDGIFNIZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.56
Rot. Bonds

About 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one

3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one (PubChem CID 71343310) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one
PubChem CID71343310
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one
SMILESO=C1CCC2Nc3ccccc3CN12
InChIInChI=1S/C11H12N2O/c14-11-6-5-10-12-9-4-2-1-3-8(9)7-13(10)11/h1-4,10,12H,5-7H2
InChIKeyALOLZHFDGIFNIZ-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one (CID 71343310) is 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one is O=C1CCC2Nc3ccccc3CN12.
What is the InChIKey of 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one?
The InChIKey is ALOLZHFDGIFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-6-5-10-12-9-4-2-1-3-8(9)7-13(10)11/h1-4,10,12H,5-7H2.
What are the key properties of 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one?
3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 71343310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).