3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

C14H11N3 — CID 133065013

IUPAC3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCN2CC=c3ccccc3=C21
InChIInChI=1S/C14H11N3/c15-9-14(10-16)6-8-17-7-5-11-3-1-2-4-12(11)13(14)17/h1-5H,6-8H2
InChIKeyYUIGDSFUVWJJFK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.33
Rot. Bonds

About 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile (PubChem CID 133065013) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
PubChem CID133065013
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCN2CC=c3ccccc3=C21
InChIInChI=1S/C14H11N3/c15-9-14(10-16)6-8-17-7-5-11-3-1-2-4-12(11)13(14)17/h1-5H,6-8H2
InChIKeyYUIGDSFUVWJJFK-UHFFFAOYSA-N
XLogP0.33
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile?
The IUPAC name of 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile (CID 133065013) is 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
What is the SMILES notation for 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile?
The canonical SMILES for 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile is N#CC1(C#N)CCN2CC=c3ccccc3=C21.
What is the InChIKey of 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile?
The InChIKey is YUIGDSFUVWJJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-9-14(10-16)6-8-17-7-5-11-3-1-2-4-12(11)13(14)17/h1-5H,6-8H2.
What are the key properties of 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile?
3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile is sourced from PubChem (CID 133065013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).