(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone

C15H20N4O3 — CID 52991063

IUPAC(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone
SMILESCCCC1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)NN1
InChIInChI=1S/C15H20N4O3/c1-2-3-11-8-13(17-16-11)15(20)18-7-6-10-4-5-12(19(21)22)9-14(10)18/h4-5,9,11,13,16-17H,2-3,6-8H2,1H3
InChIKeyBXDGMMYVOFGHLO-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.52
Rot. Bonds4

About (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone

(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone (PubChem CID 52991063) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone
PubChem CID52991063
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone
SMILESCCCC1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)NN1
InChIInChI=1S/C15H20N4O3/c1-2-3-11-8-13(17-16-11)15(20)18-7-6-10-4-5-12(19(21)22)9-14(10)18/h4-5,9,11,13,16-17H,2-3,6-8H2,1H3
InChIKeyBXDGMMYVOFGHLO-UHFFFAOYSA-N
XLogP1.52
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
ethyl 2-methyl-3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 11011775
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699459
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
morpholin-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 119699466
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 174698531
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 55645791

Frequently Asked Questions

What is the IUPAC name of (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The IUPAC name of (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone (CID 52991063) is (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone.
What is the SMILES notation for (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The canonical SMILES for (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone is CCCC1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)NN1.
What is the InChIKey of (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The InChIKey is BXDGMMYVOFGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-3-11-8-13(17-16-11)15(20)18-7-6-10-4-5-12(19(21)22)9-14(10)18/h4-5,9,11,13,16-17H,2-3,6-8H2,1H3.
What are the key properties of (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
(6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-2,3-dihydroindol-1-yl)-(5-propylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 52991063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).