(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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Related Compounds

[(2S)-1-(deuteriomethyl)pyrrolidin-2-yl]-(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)methanone
CID 141233004
(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 67316189
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
2-(5-methyl-6-nitro-2,3-dihydroindole-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977505
2-(7-methoxy-6-nitro-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 167322933
ethyl 1-bromo-7-methoxy-2-methyl-8-nitro-4,5-dihydro-1H-imidazo[1,5-a]quinoline-3-carboxylate
CID 163599141
3-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]propan-1-ol
CID 107260597
5-methoxy-1-(4-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 59442060
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanone
CID 107260082
2-fluoro-6-[[2-[[5-methoxy-1-[(2S)-1-methylpyrrolidine-2-carbonyl]-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 59441755
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
6-methoxy-7-nitro-2-(2-oxo-2-pyrrolidin-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 58147680

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).