3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile

C14H16N2O2 — CID 54894270

IUPAC3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NC2CCCC2)COc2cc(O)ccc21
InChIInChI=1S/C14H16N2O2/c15-8-14(16-10-3-1-2-4-10)9-18-13-7-11(17)5-6-12(13)14/h5-7,10,16-17H,1-4,9H2
InChIKeyRYSMEMOTHLZEAX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds2

About 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile

3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (PubChem CID 54894270) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
PubChem CID54894270
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NC2CCCC2)COc2cc(O)ccc21
InChIInChI=1S/C14H16N2O2/c15-8-14(16-10-3-1-2-4-10)9-18-13-7-11(17)5-6-12(13)14/h5-7,10,16-17H,1-4,9H2
InChIKeyRYSMEMOTHLZEAX-UHFFFAOYSA-N
XLogP2.04
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The IUPAC name of 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (CID 54894270) is 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is N#CC1(NC2CCCC2)COc2cc(O)ccc21.
What is the InChIKey of 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The InChIKey is RYSMEMOTHLZEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-14(16-10-3-1-2-4-10)9-18-13-7-11(17)5-6-12(13)14/h5-7,10,16-17H,1-4,9H2.
What are the key properties of 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 54894270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).