(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one

C15H13NO2 — CID 964148

IUPAC(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
SMILESCc1ccc(/C=C2/C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C15H13NO2/c1-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16(2)15(13)17/h3-9H,1-2H3/b13-9+
InChIKeyGGPVCZGUNZYNEZ-UKTHLTGXSA-N
MW239.27 g/mol
LogP3.11
Rot. Bonds1

About (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one

(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one (PubChem CID 964148) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
PubChem CID964148
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
SMILESCc1ccc(/C=C2/C(=O)N(C)c3ccccc32)o1
InChIInChI=1S/C15H13NO2/c1-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16(2)15(13)17/h3-9H,1-2H3/b13-9+
InChIKeyGGPVCZGUNZYNEZ-UKTHLTGXSA-N
XLogP3.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one?
The IUPAC name of (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one (CID 964148) is (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one.
What is the SMILES notation for (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one?
The canonical SMILES for (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one is Cc1ccc(/C=C2/C(=O)N(C)c3ccccc32)o1.
What is the InChIKey of (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one?
The InChIKey is GGPVCZGUNZYNEZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-7-8-11(18-10)9-13-12-5-3-4-6-14(12)16(2)15(13)17/h3-9H,1-2H3/b13-9+.
What are the key properties of (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one?
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one has a molecular weight of 239.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one is sourced from PubChem (CID 964148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).