methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide

C11H15N5O8 — CID 158340569

IUPACmethane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide
SMILESC.Cc1cc(N(CC(C)[N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O8.CH4/c1-6-3-9(10(14(20)21)4-8(6)13(18)19)11(15(22)23)5-7(2)12(16)17;/h3-4,7H,5H2,1-2H3;1H4
InChIKeyGRCNYAKKQPEOPC-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.11
Rot. Bonds7

About methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide

methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide (PubChem CID 158340569) has the molecular formula C11H15N5O8 and a molecular weight of 345.27 g/mol. Its IUPAC name is methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide.

Molecular Properties

Compound Namemethane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide
PubChem CID158340569
Molecular FormulaC11H15N5O8
Molecular Weight345.27 g/mol
Exact Mass345.09
IUPAC Namemethane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide
SMILESC.Cc1cc(N(CC(C)[N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O8.CH4/c1-6-3-9(10(14(20)21)4-8(6)13(18)19)11(15(22)23)5-7(2)12(16)17;/h3-4,7H,5H2,1-2H3;1H4
InChIKeyGRCNYAKKQPEOPC-UHFFFAOYSA-N
XLogP2.11
TPSA175.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2,4-dinitrophenyl) thiohypochlorite
CID 169084895
1-N,1-N-dimethyl-2-N-(4-methyl-3-nitrophenyl)propane-1,2-diamine
CID 82937547
5-methyl-2,4-dinitrobenzenethiol
CID 58962383
1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
CID 131011181
1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705
1-methyl-2-nitro-4,5-dinitrosobenzene
CID 3321739
5-methyl-4-nitro-2-propan-2-ylphenol
CID 713200
2-bromo-N-butan-2-yl-4-methyl-5-nitroaniline
CID 104815090
N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide
CID 135083420
5-methyl-2,4-dinitrobenzoate
CID 3671899
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-4-nitroaniline
CID 56789851
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371

Frequently Asked Questions

What is the IUPAC name of methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide?
The IUPAC name of methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide (CID 158340569) is methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide.
What is the SMILES notation for methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide?
The canonical SMILES for methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide is C.Cc1cc(N(CC(C)[N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide?
The InChIKey is GRCNYAKKQPEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O8.CH4/c1-6-3-9(10(14(20)21)4-8(6)13(18)19)11(15(22)23)5-7(2)12(16)17;/h3-4,7H,5H2,1-2H3;1H4.
What are the key properties of methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide?
methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide has a molecular weight of 345.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(5-methyl-2,4-dinitrophenyl)-N-(2-nitropropyl)nitramide is sourced from PubChem (CID 158340569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).