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

C15H11NO3 — CID 20835396

IUPAC(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one
SMILESCC(=O)N1/C(=C\c2ccco2)C(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c1-10(17)16-13-7-3-2-6-12(13)15(18)14(16)9-11-5-4-8-19-11/h2-9H,1H3/b14-9-
InChIKeyNBFSVOFXVPTFFK-ZROIWOOFSA-N
MW253.26 g/mol
LogP2.87
Rot. Bonds1

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

(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one (PubChem CID 20835396) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one.

Molecular Properties

Compound Name(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one
PubChem CID20835396
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one
SMILESCC(=O)N1/C(=C\c2ccco2)C(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c1-10(17)16-13-7-3-2-6-12(13)15(18)14(16)9-11-5-4-8-19-11/h2-9H,1H3/b14-9-
InChIKeyNBFSVOFXVPTFFK-ZROIWOOFSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
(2E)-1-acetyl-2-[(3-methoxy-2-nitrophenyl)methylidene]indol-3-one
CID 10520965
(2Z)-1-acetyl-2-[[3-methoxy-4-[2-(oxan-2-yloxy)ethoxy]phenyl]methylidene]indol-3-one
CID 177077658
5-[(E)-(1-acetyl-2-oxoindol-3-ylidene)methyl]furan-2-carbaldehyde
CID 87225726
N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 176510393
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]methanesulfonamide
CID 176732688
1,10-bis[(2E)-2-(1-acetyl-3-oxoindol-2-ylidene)-3-oxoindol-1-yl]decane-1,10-dione
CID 13261300
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
4-(furan-2-ylmethylidene)isochromene-1,3-dione
CID 587564
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one?
The IUPAC name of (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one (CID 20835396) is (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one.
What is the SMILES notation for (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one?
The canonical SMILES for (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one is CC(=O)N1/C(=C\c2ccco2)C(=O)c2ccccc21.
What is the InChIKey of (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one?
The InChIKey is NBFSVOFXVPTFFK-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10(17)16-13-7-3-2-6-12(13)15(18)14(16)9-11-5-4-8-19-11/h2-9H,1H3/b14-9-.
What are the key properties of (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one?
(2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one has a molecular weight of 253.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-acetyl-2-(furan-2-ylmethylidene)indol-3-one is sourced from PubChem (CID 20835396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).