5-amino-7-chloro-3H-2-benzofuran-1-one

C8H6ClNO2 — CID 130120783

IUPAC5-amino-7-chloro-3H-2-benzofuran-1-one
SMILESNc1cc(Cl)c2c(c1)COC2=O
InChIInChI=1S/C8H6ClNO2/c9-6-2-5(10)1-4-3-12-8(11)7(4)6/h1-2H,3,10H2
InChIKeyVTCNFVGADOJNRV-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.59
Rot. Bonds

About 5-amino-7-chloro-3H-2-benzofuran-1-one

5-amino-7-chloro-3H-2-benzofuran-1-one (PubChem CID 130120783) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 5-amino-7-chloro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-amino-7-chloro-3H-2-benzofuran-1-one
PubChem CID130120783
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name5-amino-7-chloro-3H-2-benzofuran-1-one
SMILESNc1cc(Cl)c2c(c1)COC2=O
InChIInChI=1S/C8H6ClNO2/c9-6-2-5(10)1-4-3-12-8(11)7(4)6/h1-2H,3,10H2
InChIKeyVTCNFVGADOJNRV-UHFFFAOYSA-N
XLogP1.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-chloro-3H-2-benzofuran-1-one
CID 67516366
7-amino-3H-2-benzofuran-1-one
CID 10909726
7-azido-6-chloro-3H-2-benzofuran-1-one
CID 169325814
4-amino-2-chlorobicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 175582658
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
4-(2,6-dichloro-4-methylphenyl)-3-hydroxy-2H-furan-5-one
CID 54707489
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
7-(2-chlorophenyl)-6-(hydroxymethyl)-5-(3-hydroxyprop-1-ynyl)-3H-2-benzofuran-1-one
CID 101369911
1-[1-(4-amino-2-chlorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 89125976
4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
CID 172846418
8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
CID 23247475
5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
CID 66643933

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-3H-2-benzofuran-1-one?
The IUPAC name of 5-amino-7-chloro-3H-2-benzofuran-1-one (CID 130120783) is 5-amino-7-chloro-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-amino-7-chloro-3H-2-benzofuran-1-one?
The canonical SMILES for 5-amino-7-chloro-3H-2-benzofuran-1-one is Nc1cc(Cl)c2c(c1)COC2=O.
What is the InChIKey of 5-amino-7-chloro-3H-2-benzofuran-1-one?
The InChIKey is VTCNFVGADOJNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-6-2-5(10)1-4-3-12-8(11)7(4)6/h1-2H,3,10H2.
What are the key properties of 5-amino-7-chloro-3H-2-benzofuran-1-one?
5-amino-7-chloro-3H-2-benzofuran-1-one has a molecular weight of 183.59 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-3H-2-benzofuran-1-one is sourced from PubChem (CID 130120783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).