(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one

C15H11NO3 — CID 10729540

IUPAC(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
SMILESCC(=O)N1C(=O)/C(=C/c2ccco2)c2ccccc21
InChIInChI=1S/C15H11NO3/c1-10(17)16-14-7-3-2-6-12(14)13(15(16)18)9-11-5-4-8-19-11/h2-9H,1H3/b13-9+
InChIKeyYBZZYLRLMASFJO-UKTHLTGXSA-N
MW253.26 g/mol
LogP2.71
Rot. Bonds1

About (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one

(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one (PubChem CID 10729540) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one.

Molecular Properties

Compound Name(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
PubChem CID10729540
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
SMILESCC(=O)N1C(=O)/C(=C/c2ccco2)c2ccccc21
InChIInChI=1S/C15H11NO3/c1-10(17)16-14-7-3-2-6-12(14)13(15(16)18)9-11-5-4-8-19-11/h2-9H,1H3/b13-9+
InChIKeyYBZZYLRLMASFJO-UKTHLTGXSA-N
XLogP2.71
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one
CID 20835396
5-[(E)-(1-acetyl-2-oxoindol-3-ylidene)methyl]furan-2-carbaldehyde
CID 87225726
(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
(3E)-1-acetyl-3-[[3-(trifluoromethyl)phenyl]methylidene]indol-2-one
CID 163207071
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
CID 6305986
1-butanoyl-3-[[2-[(E)-(1-butanoyl-2-oxoindol-3-ylidene)methyl]furan-3-yl]methylidene]indol-2-one
CID 66986486
4-(furan-2-ylmethylidene)isochromene-1,3-dione
CID 587564
tert-butyl 3-benzylidene-2-oxoindole-1-carboxylate
CID 66771877
(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione
CID 8002094

Frequently Asked Questions

What is the IUPAC name of (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one?
The IUPAC name of (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one (CID 10729540) is (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one.
What is the SMILES notation for (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one?
The canonical SMILES for (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one is CC(=O)N1C(=O)/C(=C/c2ccco2)c2ccccc21.
What is the InChIKey of (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one?
The InChIKey is YBZZYLRLMASFJO-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10(17)16-14-7-3-2-6-12(14)13(15(16)18)9-11-5-4-8-19-11/h2-9H,1H3/b13-9+.
What are the key properties of (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one?
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one is sourced from PubChem (CID 10729540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).