furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone

C14H12N2O4 — CID 56825589

IUPACfuran-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccco1
InChIInChI=1S/C14H12N2O4/c1-9-7-10-8-11(16(18)19)4-5-12(10)15(9)14(17)13-3-2-6-20-13/h2-6,8-9H,7H2,1H3
InChIKeyZTCYBOBRBPHYBL-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.78
Rot. Bonds2

About furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone

furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 56825589) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID56825589
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namefuran-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccco1
InChIInChI=1S/C14H12N2O4/c1-9-7-10-8-11(16(18)19)4-5-12(10)15(9)14(17)13-3-2-6-20-13/h2-6,8-9H,7H2,1H3
InChIKeyZTCYBOBRBPHYBL-UHFFFAOYSA-N
XLogP2.78
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.78
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

(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56825575
6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
CID 99584557
N-[4-(2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide
CID 166403668
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
furan-2-yl-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2917079
2-(2-methoxyethoxy)-1-[(2S)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571191
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571183
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 35414080
furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133451181

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone (CID 56825589) is furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone is CC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZTCYBOBRBPHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-7-10-8-11(16(18)19)4-5-12(10)15(9)14(17)13-3-2-6-20-13/h2-6,8-9H,7H2,1H3.
What are the key properties of furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone?
furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 272.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 56825589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).