(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone

C15H12N2O3 — CID 4680241

IUPAC(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O3/c18-15(11-4-2-1-3-5-11)16-9-8-12-10-13(17(19)20)6-7-14(12)16/h1-7,10H,8-9H2
InChIKeyLSUZGQDFDYOGSI-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.80
Rot. Bonds2

About (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone

(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone (PubChem CID 4680241) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
PubChem CID4680241
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O3/c18-15(11-4-2-1-3-5-11)16-9-8-12-10-13(17(19)20)6-7-14(12)16/h1-7,10H,8-9H2
InChIKeyLSUZGQDFDYOGSI-UHFFFAOYSA-N
XLogP2.80
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.80
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-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
[4-(4-bromopyrazol-1-yl)phenyl]-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 55602262
(5-nitro-2,3-dihydroindol-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55772974
4-(5-nitro-2,3-dihydroindol-1-yl)-4-oxobut-2-enoic acid
CID 4044459
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
5-nitro-2,3-dihydroindole-1-carbothioamide
CID 59276829
5-(5-nitro-2,3-dihydroindol-1-yl)-5-oxopentanoic acid
CID 155928155
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
3-chloro-1-(5-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 2782274
2,3-dihydroindol-1-yl-(5-nitro-2-piperidin-1-ylphenyl)methanone
CID 4876796

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone?
The IUPAC name of (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone (CID 4680241) is (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone?
The canonical SMILES for (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone?
The InChIKey is LSUZGQDFDYOGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(11-4-2-1-3-5-11)16-9-8-12-10-13(17(19)20)6-7-14(12)16/h1-7,10H,8-9H2.
What are the key properties of (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone?
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone has a molecular weight of 268.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone is sourced from PubChem (CID 4680241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).