morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone

C13H15N3O4 — CID 119788511

IUPACmorpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4/c17-13(12-8-14-5-7-20-12)15-6-4-9-10(15)2-1-3-11(9)16(18)19/h1-3,12,14H,4-8H2
InChIKeyCXCBUAUZECXMNI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.47
Rot. Bonds2

About morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone

morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 119788511) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namemorpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID119788511
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemorpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C13H15N3O4/c17-13(12-8-14-5-7-20-12)15-6-4-9-10(15)2-1-3-11(9)16(18)19/h1-3,12,14H,4-8H2
InChIKeyCXCBUAUZECXMNI-UHFFFAOYSA-N
XLogP0.47
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.47
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

morpholin-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 119699466
[(2S,5R)-5-methyloxolan-2-yl]-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 97326598
(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119706868
1-(4-nitro-2,3-dihydroindol-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119788501
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-morpholin-2-ylmethanone
CID 63522121
(2S)-2-amino-1-(4-nitro-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119326470
3-amino-2-methyl-1-(4-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 120500994
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377
(5-chlorofuran-2-yl)-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84589440
morpholin-2-yl-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119890658
(4-nitro-2,3-dihydroindol-1-yl) butanoate
CID 174469221

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone (CID 119788511) is morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone is O=C(C1CNCCO1)N1CCc2c1cccc2[N+](=O)[O-].
What is the InChIKey of morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CXCBUAUZECXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-13(12-8-14-5-7-20-12)15-6-4-9-10(15)2-1-3-11(9)16(18)19/h1-3,12,14H,4-8H2.
What are the key properties of morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone?
morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 277.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-(4-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 119788511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).