azane;1-methyl-3-nitrobenzene

C7H10N2O2 — CID 174504430

IUPACazane;1-methyl-3-nitrobenzene
SMILESCc1cccc([N+](=O)[O-])c1.N
InChIInChI=1S/C7H7NO2.H3N/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3;1H3
InChIKeyXVCUTZUILIUTNY-UHFFFAOYSA-N
MW154.17 g/mol
LogP2.07
Rot. Bonds1

About azane;1-methyl-3-nitrobenzene

azane;1-methyl-3-nitrobenzene (PubChem CID 174504430) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is azane;1-methyl-3-nitrobenzene.

Molecular Properties

Compound Nameazane;1-methyl-3-nitrobenzene
PubChem CID174504430
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameazane;1-methyl-3-nitrobenzene
SMILESCc1cccc([N+](=O)[O-])c1.N
InChIInChI=1S/C7H7NO2.H3N/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3;1H3
InChIKeyXVCUTZUILIUTNY-UHFFFAOYSA-N
XLogP2.07
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-3-nitrobenzene
CID 7422
1-methyl-3-nitrobenzene chloride
CID 20509973
1,3-dinitrobenzene;3-methylaniline
CID 158923372
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
(3-methylphenyl)-nitroimino-oxidoazanium
CID 177370701
1,3-dinitrobenzene;N-(3-methylphenyl)formamide
CID 174339659
nitric acid;1,3-xylene
CID 172865118
1-(3-methylphenyl)-1-(3-nitrophenyl)urea
CID 175036473
1-methyl-3-nitrobenzene;3-(trifluoromethyl)benzamide
CID 174838566
1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene
CID 11360219
1-methyl-3-(4-nitrophenoxy)benzene
CID 16816
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675

Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-3-nitrobenzene?
The IUPAC name of azane;1-methyl-3-nitrobenzene (CID 174504430) is azane;1-methyl-3-nitrobenzene.
What is the SMILES notation for azane;1-methyl-3-nitrobenzene?
The canonical SMILES for azane;1-methyl-3-nitrobenzene is Cc1cccc([N+](=O)[O-])c1.N.
What is the InChIKey of azane;1-methyl-3-nitrobenzene?
The InChIKey is XVCUTZUILIUTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.H3N/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3;1H3.
What are the key properties of azane;1-methyl-3-nitrobenzene?
azane;1-methyl-3-nitrobenzene has a molecular weight of 154.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-3-nitrobenzene is sourced from PubChem (CID 174504430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).