N-(2,3-dimethylcyclopropyl)-4-nitroaniline

C11H13N2O2+ — CID 134993461

IUPACN-(2,3-dimethylcyclopropyl)-4-nitroaniline
SMILESC[C+]1C(C)C1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N2O2/c1-7-8(2)11(7)12-9-3-5-10(6-4-9)13(14)15/h3-7,11-12H,1-2H3/q+1
InChIKeyUJCGGKJKSSHXGE-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.62
Rot. Bonds3

About N-(2,3-dimethylcyclopropyl)-4-nitroaniline

N-(2,3-dimethylcyclopropyl)-4-nitroaniline (PubChem CID 134993461) has the molecular formula C11H13N2O2+ and a molecular weight of 205.24 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopropyl)-4-nitroaniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopropyl)-4-nitroaniline
PubChem CID134993461
Molecular FormulaC11H13N2O2+
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC NameN-(2,3-dimethylcyclopropyl)-4-nitroaniline
SMILESC[C+]1C(C)C1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N2O2/c1-7-8(2)11(7)12-9-3-5-10(6-4-9)13(14)15/h3-7,11-12H,1-2H3/q+1
InChIKeyUJCGGKJKSSHXGE-UHFFFAOYSA-N
XLogP2.62
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
CID 43598872
N-bromo-4-nitroaniline
CID 54285277
4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
4-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 60733842
N-methylsulfanyl-4-nitroaniline
CID 12865053
1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
CID 79033555
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
1-(4-nitrophenyl)-2-propan-2-ylhydrazine
CID 101164865

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopropyl)-4-nitroaniline?
The IUPAC name of N-(2,3-dimethylcyclopropyl)-4-nitroaniline (CID 134993461) is N-(2,3-dimethylcyclopropyl)-4-nitroaniline.
What is the SMILES notation for N-(2,3-dimethylcyclopropyl)-4-nitroaniline?
The canonical SMILES for N-(2,3-dimethylcyclopropyl)-4-nitroaniline is C[C+]1C(C)C1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,3-dimethylcyclopropyl)-4-nitroaniline?
The InChIKey is UJCGGKJKSSHXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O2/c1-7-8(2)11(7)12-9-3-5-10(6-4-9)13(14)15/h3-7,11-12H,1-2H3/q+1.
What are the key properties of N-(2,3-dimethylcyclopropyl)-4-nitroaniline?
N-(2,3-dimethylcyclopropyl)-4-nitroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopropyl)-4-nitroaniline is sourced from PubChem (CID 134993461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).