3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile

C15H16N2 — CID 2826978

IUPAC3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile
SMILESN#CCCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C15H16N2/c16-11-5-10-15-9-4-3-8-14(15)17-13-7-2-1-6-12(13)15/h1-2,6-7H,3-5,8-10H2
InChIKeyDGDHJLWUOXGJCM-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.89
Rot. Bonds2

About 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile

3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile (PubChem CID 2826978) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile
PubChem CID2826978
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile
SMILESN#CCCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C15H16N2/c16-11-5-10-15-9-4-3-8-14(15)17-13-7-2-1-6-12(13)15/h1-2,6-7H,3-5,8-10H2
InChIKeyDGDHJLWUOXGJCM-UHFFFAOYSA-N
XLogP3.89
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile?
The IUPAC name of 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile (CID 2826978) is 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile.
What is the SMILES notation for 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile?
The canonical SMILES for 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile is N#CCCC12CCCCC1=Nc1ccccc12.
What is the InChIKey of 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile?
The InChIKey is DGDHJLWUOXGJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c16-11-5-10-15-9-4-3-8-14(15)17-13-7-2-1-6-12(13)15/h1-2,6-7H,3-5,8-10H2.
What are the key properties of 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile?
3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile has a molecular weight of 224.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propanenitrile is sourced from PubChem (CID 2826978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).