5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile

C15H16N2O — CID 57254467

IUPAC5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile
SMILESN#CCCCCc1ccc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C15H16N2O/c16-11-3-1-2-4-13-7-10-15(17-13)12-5-8-14(18)9-6-12/h5-10,17-18H,1-4H2
InChIKeyJXCFXAKFZXDYDV-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.62
Rot. Bonds5

About 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile

5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile (PubChem CID 57254467) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile.

Molecular Properties

Compound Name5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile
PubChem CID57254467
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile
SMILESN#CCCCCc1ccc(-c2ccc(O)cc2)[nH]1
InChIInChI=1S/C15H16N2O/c16-11-3-1-2-4-13-7-10-15(17-13)12-5-8-14(18)9-6-12/h5-10,17-18H,1-4H2
InChIKeyJXCFXAKFZXDYDV-UHFFFAOYSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
CID 44604946
16-(5-formyl-1H-pyrrol-2-yl)hexadecanenitrile
CID 44604945
22-(5-formyl-1H-pyrrol-2-yl)docos-8-enenitrile
CID 75079686
(Z)-24-(5-formyl-1H-pyrrol-2-yl)tetracos-8-enenitrile
CID 44604942
(6Z,9Z)-21-(5-formyl-1H-pyrrol-2-yl)henicosa-6,9-dienenitrile
CID 46186992
7-[4-(6-cyanohexyl)phenyl]heptanenitrile
CID 90482540
N-[5-(3-cyanopropyl)-1H-pyrrol-2-yl]ethanesulfonamide
CID 91055604
4-[4-(4-bromobutyl)-1H-pyrrol-2-yl]phenol
CID 57066301
5-hexyl-1H-pyrrol-2-ol;hydrate
CID 141136224
5-[(2,4-dihydroxyphenyl)methylamino]pentanenitrile
CID 115614389
3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid;hydrochloride
CID 163329473
4-(1H-pyrrolo[3,2-b]pyridin-2-yl)butanenitrile
CID 16757321

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile?
The IUPAC name of 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile (CID 57254467) is 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile.
What is the SMILES notation for 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile?
The canonical SMILES for 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile is N#CCCCCc1ccc(-c2ccc(O)cc2)[nH]1.
What is the InChIKey of 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile?
The InChIKey is JXCFXAKFZXDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-11-3-1-2-4-13-7-10-15(17-13)12-5-8-14(18)9-6-12/h5-10,17-18H,1-4H2.
What are the key properties of 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile?
5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile has a molecular weight of 240.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-hydroxyphenyl)-1H-pyrrol-2-yl]pentanenitrile is sourced from PubChem (CID 57254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).