(3S)-3-(benzylamino)-3H-2-benzofuran-1-one

C15H13NO2 — CID 35042036

IUPAC(3S)-3-(benzylamino)-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](NCc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO2/c17-15-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeySXRNXWZOQUSCJD-AWEZNQCLSA-N
MW239.27 g/mol
LogP2.65
Rot. Bonds3

About (3S)-3-(benzylamino)-3H-2-benzofuran-1-one

(3S)-3-(benzylamino)-3H-2-benzofuran-1-one (PubChem CID 35042036) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3S)-3-(benzylamino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-(benzylamino)-3H-2-benzofuran-1-one
PubChem CID35042036
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(3S)-3-(benzylamino)-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](NCc2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO2/c17-15-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-/m0/s1
InChIKeySXRNXWZOQUSCJD-AWEZNQCLSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(benzylamino)-3H-2-benzofuran-1-one
CID 35042035
3-[6-[(3-oxo-1H-2-benzofuran-1-yl)amino]hexylamino]-3H-2-benzofuran-1-one
CID 154128463
3-(prop-2-enylamino)-3H-2-benzofuran-1-one
CID 82533817
3-(but-2-enylamino)-3H-2-benzofuran-1-one
CID 154152201
3-(4-ethylanilino)-3H-2-benzofuran-1-one
CID 3152809
N-benzylbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 68819866
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
4-[(benzylamino)methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
CID 122372506
2-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 139074477
1-ethyl-3-(3-oxo-1H-2-benzofuran-1-yl)urea
CID 121216854
3-(cyclooctylamino)-3H-2-benzofuran-1-one
CID 18876437
(3S)-3-(2-bromoanilino)-3H-2-benzofuran-1-one
CID 705980

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(benzylamino)-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-(benzylamino)-3H-2-benzofuran-1-one (CID 35042036) is (3S)-3-(benzylamino)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-(benzylamino)-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-(benzylamino)-3H-2-benzofuran-1-one is O=C1O[C@H](NCc2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-3-(benzylamino)-3H-2-benzofuran-1-one?
The InChIKey is SXRNXWZOQUSCJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-/m0/s1.
What are the key properties of (3S)-3-(benzylamino)-3H-2-benzofuran-1-one?
(3S)-3-(benzylamino)-3H-2-benzofuran-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(benzylamino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 35042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).