2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

C16H16N2 — CID 116834286

IUPAC2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1cc[nH]c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N2/c17-10-16(15-7-8-18-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,16,18H,1-4H2
InChIKeyAESOQAQXFRICQL-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.55
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (PubChem CID 116834286) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
PubChem CID116834286
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1cc[nH]c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N2/c17-10-16(15-7-8-18-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,16,18H,1-4H2
InChIKeyAESOQAQXFRICQL-UHFFFAOYSA-N
XLogP3.55
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439
2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833250
2-(2,4-dimethylphenyl)-2-(1H-pyrrol-3-yl)acetonitrile
CID 116834301
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
2-(5-bromo-2-pyridinyl)-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetonitrile
CID 69340143
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The IUPAC name of 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (CID 116834286) is 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is N#CC(c1cc[nH]c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The InChIKey is AESOQAQXFRICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-10-16(15-7-8-18-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,16,18H,1-4H2.
What are the key properties of 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is sourced from PubChem (CID 116834286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).