1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol

C10H14N4O3 — CID 80919019

IUPAC1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
SMILESNNc1cccc(N2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c11-12-8-2-1-3-9(10(8)14(16)17)13-5-4-7(15)6-13/h1-3,7,12,15H,4-6,11H2
InChIKeyPBPUOQKMNSAWAR-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.45
Rot. Bonds3

About 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol

1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol (PubChem CID 80919019) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
PubChem CID80919019
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
SMILESNNc1cccc(N2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c11-12-8-2-1-3-9(10(8)14(16)17)13-5-4-7(15)6-13/h1-3,7,12,15H,4-6,11H2
InChIKeyPBPUOQKMNSAWAR-UHFFFAOYSA-N
XLogP0.45
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
CID 80898807
[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80918182
(3R)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-ol
CID 113423410
[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-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
CID 80904465
1-(3-methoxy-2-nitrophenyl)piperidin-3-ol
CID 113393178
3-(4-hydroxypiperidin-1-yl)-2-nitrobenzaldehyde
CID 19094720

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol (CID 80919019) is 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol is NNc1cccc(N2CCC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol?
The InChIKey is PBPUOQKMNSAWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-12-8-2-1-3-9(10(8)14(16)17)13-5-4-7(15)6-13/h1-3,7,12,15H,4-6,11H2.
What are the key properties of 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol?
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol has a molecular weight of 238.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 80919019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).