2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide

C9H19N3O3 — CID 103540530

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
SMILESCOC1CN(C(C)C(=O)NN)CC1OC
InChIInChI=1S/C9H19N3O3/c1-6(9(13)11-10)12-4-7(14-2)8(5-12)15-3/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyKXYZQRVLJLTMLR-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.29
Rot. Bonds4

About 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide

2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide (PubChem CID 103540530) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
PubChem CID103540530
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
SMILESCOC1CN(C(C)C(=O)NN)CC1OC
InChIInChI=1S/C9H19N3O3/c1-6(9(13)11-10)12-4-7(14-2)8(5-12)15-3/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyKXYZQRVLJLTMLR-UHFFFAOYSA-N
XLogP-1.29
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
2-[3-(dimethylamino)pyrrolidin-1-yl]propanehydrazide
CID 63584464
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
2-(6-hydroxy-1,4-oxazepan-4-yl)propanehydrazide
CID 131000958
2-(3-cyanopiperidin-1-yl)propanehydrazide
CID 164653332
2-(4-methoxypiperidin-1-yl)-3-methylbutanehydrazide
CID 63574228
(2S)-2-[(3R,4S)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 95339856
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
ethyl 2-(3,4-dimethoxypyrrolidin-1-yl)butanoate
CID 103535264
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
CID 63770170

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide (CID 103540530) is 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide is COC1CN(C(C)C(=O)NN)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide?
The InChIKey is KXYZQRVLJLTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(9(13)11-10)12-4-7(14-2)8(5-12)15-3/h6-8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide?
2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide has a molecular weight of 217.27 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide is sourced from PubChem (CID 103540530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).