3,4-dimethoxypyrrolidine-1-carbohydrazide

C7H15N3O3 — CID 103536753

IUPAC3,4-dimethoxypyrrolidine-1-carbohydrazide
SMILESCOC1CN(C(=O)NN)CC1OC
InChIInChI=1S/C7H15N3O3/c1-12-5-3-10(7(11)9-8)4-6(5)13-2/h5-6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyPNQKWUUGJBOEOW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.08
Rot. Bonds2

About 3,4-dimethoxypyrrolidine-1-carbohydrazide

3,4-dimethoxypyrrolidine-1-carbohydrazide (PubChem CID 103536753) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3,4-dimethoxypyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name3,4-dimethoxypyrrolidine-1-carbohydrazide
PubChem CID103536753
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name3,4-dimethoxypyrrolidine-1-carbohydrazide
SMILESCOC1CN(C(=O)NN)CC1OC
InChIInChI=1S/C7H15N3O3/c1-12-5-3-10(7(11)9-8)4-6(5)13-2/h5-6H,3-4,8H2,1-2H3,(H,9,11)
InChIKeyPNQKWUUGJBOEOW-UHFFFAOYSA-N
XLogP-1.08
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
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

(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
2-(3,4-dimethoxypyrrolidin-1-yl)propanehydrazide
CID 103540530
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 103533251
1-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 103536430
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103532063
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxypyrrolidine-1-carbohydrazide?
The IUPAC name of 3,4-dimethoxypyrrolidine-1-carbohydrazide (CID 103536753) is 3,4-dimethoxypyrrolidine-1-carbohydrazide.
What is the SMILES notation for 3,4-dimethoxypyrrolidine-1-carbohydrazide?
The canonical SMILES for 3,4-dimethoxypyrrolidine-1-carbohydrazide is COC1CN(C(=O)NN)CC1OC.
What is the InChIKey of 3,4-dimethoxypyrrolidine-1-carbohydrazide?
The InChIKey is PNQKWUUGJBOEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-12-5-3-10(7(11)9-8)4-6(5)13-2/h5-6H,3-4,8H2,1-2H3,(H,9,11).
What are the key properties of 3,4-dimethoxypyrrolidine-1-carbohydrazide?
3,4-dimethoxypyrrolidine-1-carbohydrazide has a molecular weight of 189.21 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxypyrrolidine-1-carbohydrazide is sourced from PubChem (CID 103536753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).