2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide

C9H19N3O2 — CID 63584047

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
SMILESCCC(C(=O)NN)N1CCCC1CO
InChIInChI=1S/C9H19N3O2/c1-2-8(9(14)11-10)12-5-3-4-7(12)6-13/h7-8,13H,2-6,10H2,1H3,(H,11,14)
InChIKeyOYVUSDONYSLLGJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.79
Rot. Bonds4

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide

2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide (PubChem CID 63584047) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
PubChem CID63584047
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
SMILESCCC(C(=O)NN)N1CCCC1CO
InChIInChI=1S/C9H19N3O2/c1-2-8(9(14)11-10)12-5-3-4-7(12)6-13/h7-8,13H,2-6,10H2,1H3,(H,11,14)
InChIKeyOYVUSDONYSLLGJ-UHFFFAOYSA-N
XLogP-0.79
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 63577874
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609
(3R)-4-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 54525823
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide (CID 63584047) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide is CCC(C(=O)NN)N1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide?
The InChIKey is OYVUSDONYSLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-8(9(14)11-10)12-5-3-4-7(12)6-13/h7-8,13H,2-6,10H2,1H3,(H,11,14).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide has a molecular weight of 201.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide is sourced from PubChem (CID 63584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).