furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone

C13H10N2O4 — CID 110287360

IUPACfuran-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H10N2O4/c16-13(12-2-1-7-19-12)14-6-5-9-3-4-10(15(17)18)8-11(9)14/h1-4,7-8H,5-6H2
InChIKeyPMNCYRWODPZYGX-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.39
Rot. Bonds2

About furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone

furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 110287360) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID110287360
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Namefuran-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H10N2O4/c16-13(12-2-1-7-19-12)14-6-5-9-3-4-10(15(17)18)8-11(9)14/h1-4,7-8H,5-6H2
InChIKeyPMNCYRWODPZYGX-UHFFFAOYSA-N
XLogP2.39
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
(E)-3-(furan-2-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 37163716
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37159430
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 16582545
furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
1-[2,4-dimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 37163175
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 110287360) is furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone is O=C(c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PMNCYRWODPZYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-13(12-2-1-7-19-12)14-6-5-9-3-4-10(15(17)18)8-11(9)14/h1-4,7-8H,5-6H2.
What are the key properties of furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone?
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 258.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110287360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).