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

C14H14N2 — CID 122216109

IUPAC2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile
SMILESN#CCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C14H14N2/c15-10-9-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)14/h1-2,5-6H,3-4,7-9H2
InChIKeyZEBSEALPPZXMTG-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.50
Rot. Bonds1

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

2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile (PubChem CID 122216109) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile
PubChem CID122216109
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile
SMILESN#CCC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C14H14N2/c15-10-9-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)14/h1-2,5-6H,3-4,7-9H2
InChIKeyZEBSEALPPZXMTG-UHFFFAOYSA-N
XLogP3.50
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile (CID 122216109) is 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile is N#CCC12CCCCC1=Nc1ccccc12.
What is the InChIKey of 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile?
The InChIKey is ZEBSEALPPZXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-10-9-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)14/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile?
2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetonitrile is sourced from PubChem (CID 122216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).