[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol

C11H16N4O3 — CID 80898618

IUPAC[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
SMILESNNc1cc(N2CCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-13-8-4-10(6-11(5-8)15(17)18)14-3-1-2-9(14)7-16/h4-6,9,13,16H,1-3,7,12H2
InChIKeyVMIHXWXHKFIPQH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.84
Rot. Bonds4

About [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol

[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol (PubChem CID 80898618) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
PubChem CID80898618
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
SMILESNNc1cc(N2CCCC2CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-13-8-4-10(6-11(5-8)15(17)18)14-3-1-2-9(14)7-16/h4-6,9,13,16H,1-3,7,12H2
InChIKeyVMIHXWXHKFIPQH-UHFFFAOYSA-N
XLogP0.84
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.84
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

[1-(3-nitro-5-propoxyphenyl)pyrrolidin-2-yl]methanol
CID 80743982
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
N-ethyl-3-nitro-5-(2-propylpiperidin-1-yl)aniline
CID 83045065
[(2S)-1-(3-amino-4-nitrophenyl)pyrrolidin-2-yl]methanol
CID 69218686
N-methyl-3-(2-methylpyrrolidin-1-yl)-5-nitroaniline
CID 80790491
2-[1-(3-methyl-5-nitrophenyl)piperidin-2-yl]ethanamine
CID 112649492
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
[1-(2-iodo-4-nitrophenyl)pyrrolidin-2-yl]methanol
CID 66094331
3-(2-ethylpiperidin-1-yl)-5-nitroaniline
CID 80776239
[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
CID 102887930
3-(2-methylpyrrolidin-1-yl)-5-nitro-N-propylaniline
CID 80791595

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol (CID 80898618) is [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol is NNc1cc(N2CCCC2CO)cc([N+](=O)[O-])c1.
What is the InChIKey of [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is VMIHXWXHKFIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-13-8-4-10(6-11(5-8)15(17)18)14-3-1-2-9(14)7-16/h4-6,9,13,16H,1-3,7,12H2.
What are the key properties of [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol?
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 252.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80898618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).