[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine

C11H16N4O2 — CID 80898807

IUPAC[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
SMILESCC1CCN(c2cccc(NN)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O2/c1-8-5-6-14(7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyXUBILWHBFQFHBP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.73
Rot. Bonds3

About [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine

[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine (PubChem CID 80898807) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
PubChem CID80898807
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
SMILESCC1CCN(c2cccc(NN)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O2/c1-8-5-6-14(7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyXUBILWHBFQFHBP-UHFFFAOYSA-N
XLogP1.73
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80918182
[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80931283
N,N-dimethyl-1-[3-(methylamino)-2-nitrophenyl]pyrrolidin-3-amine
CID 80828406
3-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-nitroaniline
CID 80767775
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
CID 80904465
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione
CID 80925586

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine (CID 80898807) is [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine is CC1CCN(c2cccc(NN)c2[N+](=O)[O-])C1.
What is the InChIKey of [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine?
The InChIKey is XUBILWHBFQFHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-5-6-14(7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3.
What are the key properties of [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine?
[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine has a molecular weight of 236.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80898807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).