2-(1-cyclohexylpyrrol-2-yl)acetonitrile

C12H16N2 — CID 86149026

IUPAC2-(1-cyclohexylpyrrol-2-yl)acetonitrile
SMILESN#CCc1cccn1C1CCCCC1
InChIInChI=1S/C12H16N2/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h4,7,10-11H,1-3,5-6,8H2
InChIKeyMWIOXAKDABIKKA-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.06
Rot. Bonds2

About 2-(1-cyclohexylpyrrol-2-yl)acetonitrile

2-(1-cyclohexylpyrrol-2-yl)acetonitrile (PubChem CID 86149026) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclohexylpyrrol-2-yl)acetonitrile
PubChem CID86149026
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(1-cyclohexylpyrrol-2-yl)acetonitrile
SMILESN#CCc1cccn1C1CCCCC1
InChIInChI=1S/C12H16N2/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h4,7,10-11H,1-3,5-6,8H2
InChIKeyMWIOXAKDABIKKA-UHFFFAOYSA-N
XLogP3.06
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
CID 170879046
2-(2-cyclohexylpyrazol-3-yl)acetonitrile
CID 105443852
(1-cyclopropylpyrrol-2-yl)methanamine
CID 82502418
1-cyclohexyl-2-(2-cyclohexylethynyl)pyrrole
CID 175159685
methyl 2-amino-3-(1-cyclohexylpyrrol-2-yl)propanoate
CID 170884332
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
CID 46784881
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
2-tert-butyl-1-cyclopentylpyrrole
CID 167365974
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
1-cyclopropylpyrrol-2-ol
CID 141224357

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(1-cyclohexylpyrrol-2-yl)acetonitrile (CID 86149026) is 2-(1-cyclohexylpyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclohexylpyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclohexylpyrrol-2-yl)acetonitrile is N#CCc1cccn1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpyrrol-2-yl)acetonitrile?
The InChIKey is MWIOXAKDABIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h4,7,10-11H,1-3,5-6,8H2.
What are the key properties of 2-(1-cyclohexylpyrrol-2-yl)acetonitrile?
2-(1-cyclohexylpyrrol-2-yl)acetonitrile has a molecular weight of 188.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrrol-2-yl)acetonitrile is sourced from PubChem (CID 86149026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).