(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone

C19H17N3O3 — CID 97081730

IUPAC(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c23-19(21-10-9-15(12-21)13-5-2-1-3-6-13)16-11-14-7-4-8-17(22(24)25)18(14)20-16/h1-8,11,15,20H,9-10,12H2/t15-/m0/s1
InChIKeyKCUJPCNZDCXJQW-HNNXBMFYSA-N
MW335.36 g/mol
LogP3.71
Rot. Bonds3

About (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone

(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 97081730) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
PubChem CID97081730
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c23-19(21-10-9-15(12-21)13-5-2-1-3-6-13)16-11-14-7-4-8-17(22(24)25)18(14)20-16/h1-8,11,15,20H,9-10,12H2/t15-/m0/s1
InChIKeyKCUJPCNZDCXJQW-HNNXBMFYSA-N
XLogP3.71
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone (CID 97081730) is (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone is O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is KCUJPCNZDCXJQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(21-10-9-15(12-21)13-5-2-1-3-6-13)16-11-14-7-4-8-17(22(24)25)18(14)20-16/h1-8,11,15,20H,9-10,12H2/t15-/m0/s1.
What are the key properties of (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 335.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97081730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).