1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline

C11H16N2 — CID 24870779

IUPAC1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
SMILESC1CCC2=C(C1)CN1CCCC1=N2
InChIInChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-8H2
InChIKeySCASDHJZYFQHIZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.32
Rot. Bonds

About 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline

1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline (PubChem CID 24870779) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
PubChem CID24870779
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
SMILESC1CCC2=C(C1)CN1CCCC1=N2
InChIInChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-8H2
InChIKeySCASDHJZYFQHIZ-UHFFFAOYSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline (CID 24870779) is 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline is C1CCC2=C(C1)CN1CCCC1=N2.
What is the InChIKey of 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline?
The InChIKey is SCASDHJZYFQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-8H2.
What are the key properties of 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline?
1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline has a molecular weight of 176.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 24870779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).