(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one

C13H8BrNO2 — CID 46504701

IUPAC(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccco1
InChIInChI=1S/C13H8BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,(H,15,16)/b11-7-
InChIKeyCBYUHHGMVIHGFQ-XFFZJAGNSA-N
MW290.12 g/mol
LogP3.53
Rot. Bonds1

About (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one (PubChem CID 46504701) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one
PubChem CID46504701
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1ccco1
InChIInChI=1S/C13H8BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,(H,15,16)/b11-7-
InChIKeyCBYUHHGMVIHGFQ-XFFZJAGNSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 71680549
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57062180
(3E)-5-bromo-3-[(1-methylpyrrol-2-yl)methylidene]-1H-indol-2-one
CID 22607647
(3Z)-5-bromo-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1H-indol-2-one
CID 26366473
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
(3Z)-5-bromo-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 46504696

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one (CID 46504701) is (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=C/c1ccco1.
What is the InChIKey of (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is CBYUHHGMVIHGFQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-7H,(H,15,16)/b11-7-.
What are the key properties of (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 290.12 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-(furan-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 46504701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).