(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

C16H15NO2 — CID 896982

IUPAC(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCc3ccccc32)o1
InChIInChI=1S/C16H15NO2/c1-12-6-7-14(19-12)8-9-16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3/b9-8+
InChIKeyBYPPFGHLKCGJBZ-CMDGGOBGSA-N
MW253.30 g/mol
LogP3.19
Rot. Bonds2

About (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 896982) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID896982
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCc3ccccc32)o1
InChIInChI=1S/C16H15NO2/c1-12-6-7-14(19-12)8-9-16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3/b9-8+
InChIKeyBYPPFGHLKCGJBZ-CMDGGOBGSA-N
XLogP3.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.19
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 (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CID 896982) is (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCc3ccccc32)o1.
What is the InChIKey of (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is BYPPFGHLKCGJBZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-6-7-14(19-12)8-9-16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3/b9-8+.
What are the key properties of (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 896982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).