3-(2-methylpyrrolidin-1-yl)butanehydrazide

C9H19N3O — CID 63569163

IUPAC3-(2-methylpyrrolidin-1-yl)butanehydrazide
SMILESCC1CCCN1C(C)CC(=O)NN
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-12(7)8(2)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeySPSDOLASQNAIAG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.24
Rot. Bonds3

About 3-(2-methylpyrrolidin-1-yl)butanehydrazide

3-(2-methylpyrrolidin-1-yl)butanehydrazide (PubChem CID 63569163) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-methylpyrrolidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name3-(2-methylpyrrolidin-1-yl)butanehydrazide
PubChem CID63569163
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(2-methylpyrrolidin-1-yl)butanehydrazide
SMILESCC1CCCN1C(C)CC(=O)NN
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-12(7)8(2)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeySPSDOLASQNAIAG-UHFFFAOYSA-N
XLogP0.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
4-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 63583684
1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidin-1-yl)butanehydrazide?
The IUPAC name of 3-(2-methylpyrrolidin-1-yl)butanehydrazide (CID 63569163) is 3-(2-methylpyrrolidin-1-yl)butanehydrazide.
What is the SMILES notation for 3-(2-methylpyrrolidin-1-yl)butanehydrazide?
The canonical SMILES for 3-(2-methylpyrrolidin-1-yl)butanehydrazide is CC1CCCN1C(C)CC(=O)NN.
What is the InChIKey of 3-(2-methylpyrrolidin-1-yl)butanehydrazide?
The InChIKey is SPSDOLASQNAIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-3-5-12(7)8(2)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 3-(2-methylpyrrolidin-1-yl)butanehydrazide?
3-(2-methylpyrrolidin-1-yl)butanehydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidin-1-yl)butanehydrazide is sourced from PubChem (CID 63569163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).