(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone

C16H14N2O3 — CID 112537041

IUPAC(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C16H14N2O3/c1-11-5-2-3-7-13(11)16(19)17-10-9-12-6-4-8-14(15(12)17)18(20)21/h2-8H,9-10H2,1H3
InChIKeyCZXRGYNLJKNAQZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.11
Rot. Bonds2

About (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone

(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 112537041) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID112537041
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCc2cccc([N+](=O)[O-])c21
InChIInChI=1S/C16H14N2O3/c1-11-5-2-3-7-13(11)16(19)17-10-9-12-6-4-8-14(15(12)17)18(20)21/h2-8H,9-10H2,1H3
InChIKeyCZXRGYNLJKNAQZ-UHFFFAOYSA-N
XLogP3.11
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.11
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-methyl-1-(7-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 70797782
(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
CID 112537037
1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
CID 112537046
2-(2,3-dihydroindole-1-carbonyl)-6-nitrobenzoic acid
CID 4313762
(3-hydroxynaphthalen-2-yl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835830
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
1-(2-nitrobenzoyl)piperidin-4-one
CID 24694101
(5-bromo-7-nitro-2,3-dihydroindol-1-yl)-(3,4-dimethylphenyl)methanone
CID 112536983
2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 47845275
(3-methyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 4663299
(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 24697162

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone (CID 112537041) is (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone is Cc1ccccc1C(=O)N1CCc2cccc([N+](=O)[O-])c21.
What is the InChIKey of (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CZXRGYNLJKNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-5-2-3-7-13(11)16(19)17-10-9-12-6-4-8-14(15(12)17)18(20)21/h2-8H,9-10H2,1H3.
What are the key properties of (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 282.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112537041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).