3-(cyclooctylamino)-3H-2-benzofuran-1-one

C16H21NO2 — CID 18876437

IUPAC3-(cyclooctylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(NC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c18-16-14-11-7-6-10-13(14)15(19-16)17-12-8-4-2-1-3-5-9-12/h6-7,10-12,15,17H,1-5,8-9H2
InChIKeyXMWCMSYUJZBZLL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.56
Rot. Bonds2

About 3-(cyclooctylamino)-3H-2-benzofuran-1-one

3-(cyclooctylamino)-3H-2-benzofuran-1-one (PubChem CID 18876437) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(cyclooctylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(cyclooctylamino)-3H-2-benzofuran-1-one
PubChem CID18876437
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-(cyclooctylamino)-3H-2-benzofuran-1-one
SMILESO=C1OC(NC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c18-16-14-11-7-6-10-13(14)15(19-16)17-12-8-4-2-1-3-5-9-12/h6-7,10-12,15,17H,1-5,8-9H2
InChIKeyXMWCMSYUJZBZLL-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-2-benzofuran-1-one
CID 5389515
3-(4-methylpiperazin-1-yl)-3H-2-benzofuran-1-one
CID 3591959
Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-
CID 168974
3-(4-benzylpiperazin-1-yl)-2-benzofuran-1(3H)-one
CID 664363
(2-benzyl-3-oxo-1H-isoindol-1-yl) propanoate
CID 9550758
(3R)-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
CID 92854553
3-anilino-3H-2-benzofuran-1-one
CID 2864713
1-(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)piperidine-4-carboxamide
CID 662257
3-(1-methylpyrrolidin-1-ium-1-yl)-3H-2-benzofuran-1-one bromide
CID 44362887
3-(4-Morpholinyl)-1(3H)-isobenzofuranone
CID 3498855
3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone
CID 4221442
3-(1-piperidinyl)-2-benzofuran-1(3H)-one
CID 3782457

Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctylamino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(cyclooctylamino)-3H-2-benzofuran-1-one (CID 18876437) is 3-(cyclooctylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(cyclooctylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(cyclooctylamino)-3H-2-benzofuran-1-one is O=C1OC(NC2CCCCCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclooctylamino)-3H-2-benzofuran-1-one?
The InChIKey is XMWCMSYUJZBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16-14-11-7-6-10-13(14)15(19-16)17-12-8-4-2-1-3-5-9-12/h6-7,10-12,15,17H,1-5,8-9H2.
What are the key properties of 3-(cyclooctylamino)-3H-2-benzofuran-1-one?
3-(cyclooctylamino)-3H-2-benzofuran-1-one has a molecular weight of 259.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 18876437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).