2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C11H14N2O — CID 13183095

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3n1CCC3)CCCC2
InChIInChI=1S/C11H14N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-7H2
InChIKeyOACRPJICGZAYFE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.07
Rot. Bonds

About 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one

2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 13183095) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID13183095
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2c(nc3n1CCC3)CCCC2
InChIInChI=1S/C11H14N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-7H2
InChIKeyOACRPJICGZAYFE-UHFFFAOYSA-N
XLogP1.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 13183095) is 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one is O=c1c2c(nc3n1CCC3)CCCC2.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is OACRPJICGZAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-7H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 190.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 13183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).