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

C16H20N2O2 — CID 60998886

IUPAC3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NC2CCCCCC2)COc2cc(O)ccc21
InChIInChI=1S/C16H20N2O2/c17-10-16(18-12-5-3-1-2-4-6-12)11-20-15-9-13(19)7-8-14(15)16/h7-9,12,18-19H,1-6,11H2
InChIKeyHGMKXRNYVFHYKH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.82
Rot. Bonds2

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

3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (PubChem CID 60998886) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
PubChem CID60998886
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NC2CCCCCC2)COc2cc(O)ccc21
InChIInChI=1S/C16H20N2O2/c17-10-16(18-12-5-3-1-2-4-6-12)11-20-15-9-13(19)7-8-14(15)16/h7-9,12,18-19H,1-6,11H2
InChIKeyHGMKXRNYVFHYKH-UHFFFAOYSA-N
XLogP2.82
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The IUPAC name of 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile (CID 60998886) is 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is N#CC1(NC2CCCCCC2)COc2cc(O)ccc21.
What is the InChIKey of 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
The InChIKey is HGMKXRNYVFHYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-10-16(18-12-5-3-1-2-4-6-12)11-20-15-9-13(19)7-8-14(15)16/h7-9,12,18-19H,1-6,11H2.
What are the key properties of 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile?
3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 60998886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).