7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

C13H12N2 — CID 58056636

IUPAC7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESN#Cc1ccn2ccc3c(c12)CCCC3
InChIInChI=1S/C13H12N2/c14-9-11-6-8-15-7-5-10-3-1-2-4-12(10)13(11)15/h5-8H,1-4H2
InChIKeyQIFHSGLVKFREOK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.69
Rot. Bonds

About 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile (PubChem CID 58056636) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
PubChem CID58056636
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESN#Cc1ccn2ccc3c(c12)CCCC3
InChIInChI=1S/C13H12N2/c14-9-11-6-8-15-7-5-10-3-1-2-4-12(10)13(11)15/h5-8H,1-4H2
InChIKeyQIFHSGLVKFREOK-UHFFFAOYSA-N
XLogP2.69
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The IUPAC name of 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile (CID 58056636) is 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile.
What is the SMILES notation for 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The canonical SMILES for 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile is N#Cc1ccn2ccc3c(c12)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The InChIKey is QIFHSGLVKFREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c14-9-11-6-8-15-7-5-10-3-1-2-4-12(10)13(11)15/h5-8H,1-4H2.
What are the key properties of 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile?
7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile is sourced from PubChem (CID 58056636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).