1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one

C20H19N3O4 — CID 37161321

IUPAC1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C20H19N3O4/c24-19-2-1-10-21(19)16-6-3-14(4-7-16)12-20(25)22-11-9-15-5-8-17(23(26)27)13-18(15)22/h3-8,13H,1-2,9-12H2
InChIKeyZIEIFXJZBNLZTI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.85
Rot. Bonds4

About 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one

1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one (PubChem CID 37161321) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
PubChem CID37161321
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C20H19N3O4/c24-19-2-1-10-21(19)16-6-3-14(4-7-16)12-20(25)22-11-9-15-5-8-17(23(26)27)13-18(15)22/h3-8,13H,1-2,9-12H2
InChIKeyZIEIFXJZBNLZTI-UHFFFAOYSA-N
XLogP2.85
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110309326
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
CID 71616492
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
1-(4-nitrophenyl)azepan-2-one
CID 58962770
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
(E)-3-(4-nitrophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 26709613
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37161899
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one (CID 37161321) is 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one?
The InChIKey is ZIEIFXJZBNLZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-19-2-1-10-21(19)16-6-3-14(4-7-16)12-20(25)22-11-9-15-5-8-17(23(26)27)13-18(15)22/h3-8,13H,1-2,9-12H2.
What are the key properties of 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one has a molecular weight of 365.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 37161321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).