1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one

C15H19N3O4 — CID 99777481

IUPAC1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H19N3O4/c19-13(10-17-6-1-2-15(17)20)9-16-7-5-11-3-4-12(18(21)22)8-14(11)16/h3-4,8,13,19H,1-2,5-7,9-10H2/t13-/m1/s1
InChIKeyIOBBAZXNXNELCN-CYBMUJFWSA-N
MW305.33 g/mol
LogP0.94
Rot. Bonds5

About 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one

1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one (PubChem CID 99777481) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one
PubChem CID99777481
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H19N3O4/c19-13(10-17-6-1-2-15(17)20)9-16-7-5-11-3-4-12(18(21)22)8-14(11)16/h3-4,8,13,19H,1-2,5-7,9-10H2/t13-/m1/s1
InChIKeyIOBBAZXNXNELCN-CYBMUJFWSA-N
XLogP0.94
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
1-(6-methyl-2,3-dihydroindol-1-yl)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111496299
N,N-dimethyl-2-(6-nitro-2,3-dihydroindol-1-yl)ethanamine
CID 18914093
ethane;1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143533155
1-(2-methoxyethyl)-7-nitro-3,4-dihydro-2H-quinoline
CID 69040269
1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 37161321
4-(8-nitro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxobutanoyl chloride
CID 87841343
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-nitrophenoxy)propan-2-ol
CID 3763167
tert-butyl N-[3-methyl-4-(6-nitro-2,3-dihydroindol-1-yl)butylidene]carbamate
CID 174470265
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110309326

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one (CID 99777481) is 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is IOBBAZXNXNELCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(10-17-6-1-2-15(17)20)9-16-7-5-11-3-4-12(18(21)22)8-14(11)16/h3-4,8,13,19H,1-2,5-7,9-10H2/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one?
1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 305.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-(6-nitro-2,3-dihydroindol-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 99777481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).