2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline

C11H10N2 — CID 66919674

IUPAC2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=Cc2c3c(ccc2=N1)=CCNC3
InChIInChI=1S/C11H10N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h1-4,6,12H,5,7H2
InChIKeyOKFRBBZZKZXUSB-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.17
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline

2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline (PubChem CID 66919674) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline
PubChem CID66919674
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline
SMILESC1=Cc2c3c(ccc2=N1)=CCNC3
InChIInChI=1S/C11H10N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h1-4,6,12H,5,7H2
InChIKeyOKFRBBZZKZXUSB-UHFFFAOYSA-N
XLogP0.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline (CID 66919674) is 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline is C1=Cc2c3c(ccc2=N1)=CCNC3.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline?
The InChIKey is OKFRBBZZKZXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-11-9(4-6-13-11)10-7-12-5-3-8(1)10/h1-4,6,12H,5,7H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline?
2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline has a molecular weight of 170.22 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[2,3-h]isoquinoline is sourced from PubChem (CID 66919674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).