(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone

C15H19N3O4 — CID 67315877

IUPAC(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN1C)CC2
InChIInChI=1S/C15H19N3O4/c1-16-6-3-4-11(16)15(19)17-7-5-10-8-14(22-2)13(18(20)21)9-12(10)17/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeySVZMICOXNSLUAR-LLVKDONJSA-N
MW305.33 g/mol
LogP1.59
Rot. Bonds3

About (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone

(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 67315877) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone
PubChem CID67315877
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN1C)CC2
InChIInChI=1S/C15H19N3O4/c1-16-6-3-4-11(16)15(19)17-7-5-10-8-14(22-2)13(18(20)21)9-12(10)17/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeySVZMICOXNSLUAR-LLVKDONJSA-N
XLogP1.59
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone (CID 67315877) is (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone is COc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCN1C)CC2.
What is the InChIKey of (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is SVZMICOXNSLUAR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-16-6-3-4-11(16)15(19)17-7-5-10-8-14(22-2)13(18(20)21)9-12(10)17/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone?
(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 305.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 67315877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).