(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one

C15H12N2O4 — CID 37163716

IUPAC(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H12N2O4/c18-15(6-5-13-2-1-9-21-13)16-8-7-11-3-4-12(17(19)20)10-14(11)16/h1-6,9-10H,7-8H2/b6-5+
InChIKeyYGWBRLUYHJMXQK-AATRIKPKSA-N
MW284.27 g/mol
LogP2.79
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one (PubChem CID 37163716) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
PubChem CID37163716
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H12N2O4/c18-15(6-5-13-2-1-9-21-13)16-8-7-11-3-4-12(17(19)20)10-14(11)16/h1-6,9-10H,7-8H2/b6-5+
InChIKeyYGWBRLUYHJMXQK-AATRIKPKSA-N
XLogP2.79
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
(E)-3-(3,5-dimethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 37161129
(E)-3-[2-(difluoromethoxy)phenyl]-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55497148
(E)-3-(furan-2-yl)-1-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 21211975
4-(5-nitro-2,3-dihydroindol-1-yl)-4-oxobut-2-enoic acid
CID 4044459
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37159430
(E)-3-(furan-2-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 8924368
(4-nitrophenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 7005052
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one (CID 37163716) is (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The InChIKey is YGWBRLUYHJMXQK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-15(6-5-13-2-1-9-21-13)16-8-7-11-3-4-12(17(19)20)10-14(11)16/h1-6,9-10H,7-8H2/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one has a molecular weight of 284.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 37163716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).