[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone

C17H16N2O3 — CID 41066106

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
SMILESCc1c(C(=O)N2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-11-10-13-6-3-4-8-16(13)18(11)17(20)14-7-5-9-15(12(14)2)19(21)22/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyMYRVFNOWLQSJEQ-LLVKDONJSA-N
MW296.33 g/mol
LogP3.49
Rot. Bonds2

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone (PubChem CID 41066106) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
PubChem CID41066106
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone
SMILESCc1c(C(=O)N2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-11-10-13-6-3-4-8-16(13)18(11)17(20)14-7-5-9-15(12(14)2)19(21)22/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyMYRVFNOWLQSJEQ-LLVKDONJSA-N
XLogP3.49
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[(3-nitrophenyl)methyl]pyridin-2-one
CID 43995791
(2-methyl-1H-benzimidazol-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110701133
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone (CID 41066106) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone is Cc1c(C(=O)N2c3ccccc3C[C@H]2C)cccc1[N+](=O)[O-].
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone?
The InChIKey is MYRVFNOWLQSJEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-10-13-6-3-4-8-16(13)18(11)17(20)14-7-5-9-15(12(14)2)19(21)22/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone has a molecular weight of 296.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(2-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 41066106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).