[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine

C13H20N4O2 — CID 113419535

IUPAC[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
SMILESCC(C)C1CCN(c2cc(NN)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H20N4O2/c1-9(2)10-3-4-16(8-10)12-5-11(15-14)6-13(7-12)17(18)19/h5-7,9-10,15H,3-4,8,14H2,1-2H3
InChIKeyPXGVUWNVYFQWLD-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.36
Rot. Bonds4

About [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine

[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine (PubChem CID 113419535) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
PubChem CID113419535
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
SMILESCC(C)C1CCN(c2cc(NN)cc([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H20N4O2/c1-9(2)10-3-4-16(8-10)12-5-11(15-14)6-13(7-12)17(18)19/h5-7,9-10,15H,3-4,8,14H2,1-2H3
InChIKeyPXGVUWNVYFQWLD-UHFFFAOYSA-N
XLogP2.36
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.36
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

1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
CID 80912767
N,N-dimethyl-1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-amine
CID 80831522
1-[1-(3-methoxy-5-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627930
[1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-yl]methanol
CID 112629547
1-[3-(ethylamino)-5-nitrophenyl]piperidin-4-ol
CID 80763699
1-[1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-yl]ethanol
CID 115966599
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
1-[3-(ethylamino)-5-nitrophenyl]piperidine-4-carboxamide
CID 80729334
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine
CID 80743265

Frequently Asked Questions

What is the IUPAC name of [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine?
The IUPAC name of [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine (CID 113419535) is [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine.
What is the SMILES notation for [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine?
The canonical SMILES for [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine is CC(C)C1CCN(c2cc(NN)cc([N+](=O)[O-])c2)C1.
What is the InChIKey of [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine?
The InChIKey is PXGVUWNVYFQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)10-3-4-16(8-10)12-5-11(15-14)6-13(7-12)17(18)19/h5-7,9-10,15H,3-4,8,14H2,1-2H3.
What are the key properties of [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine?
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine has a molecular weight of 264.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine is sourced from PubChem (CID 113419535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).