[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine

C13H20N4O2 — CID 113418785

IUPAC[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCCC1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H20N4O2/c1-2-10-5-6-16(8-10)9-11-3-4-12(15-14)13(7-11)17(18)19/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3
InChIKeyNKCRNLZJXIUJTI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.11
Rot. Bonds5

About [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine

[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine (PubChem CID 113418785) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
PubChem CID113418785
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCCC1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C13H20N4O2/c1-2-10-5-6-16(8-10)9-11-3-4-12(15-14)13(7-11)17(18)19/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3
InChIKeyNKCRNLZJXIUJTI-UHFFFAOYSA-N
XLogP2.11
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.11
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

[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
N-ethyl-4-[(3-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 55046125
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[[4-(methylamino)-3-nitrophenyl]methyl]pyrrolidine-3-carboxamide
CID 103881493
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine (CID 113418785) is [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine is CCC1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)C1.
What is the InChIKey of [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is NKCRNLZJXIUJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-10-5-6-16(8-10)9-11-3-4-12(15-14)13(7-11)17(18)19/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3.
What are the key properties of [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine?
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 264.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 113418785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).