methyl 1-methylpyrazolidine-4-carboxylate

C6H12N2O2 — CID 84648948

IUPACmethyl 1-methylpyrazolidine-4-carboxylate
SMILESCOC(=O)C1CNN(C)C1
InChIInChI=1S/C6H12N2O2/c1-8-4-5(3-7-8)6(9)10-2/h5,7H,3-4H2,1-2H3
InChIKeyYTLWQUDAUVKTPY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.77
Rot. Bonds1

About methyl 1-methylpyrazolidine-4-carboxylate

methyl 1-methylpyrazolidine-4-carboxylate (PubChem CID 84648948) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 1-methylpyrazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylpyrazolidine-4-carboxylate
PubChem CID84648948
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl 1-methylpyrazolidine-4-carboxylate
SMILESCOC(=O)C1CNN(C)C1
InChIInChI=1S/C6H12N2O2/c1-8-4-5(3-7-8)6(9)10-2/h5,7H,3-4H2,1-2H3
InChIKeyYTLWQUDAUVKTPY-UHFFFAOYSA-N
XLogP-0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 1-methyl-3,4-dihydro-2H-pyridine-3-carboxylate
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methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
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cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
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trimethyl 1,3-diazinane-1,3,5-tricarboxylate
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methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-methylpyrazolidine-4-carboxylate?
The IUPAC name of methyl 1-methylpyrazolidine-4-carboxylate (CID 84648948) is methyl 1-methylpyrazolidine-4-carboxylate.
What is the SMILES notation for methyl 1-methylpyrazolidine-4-carboxylate?
The canonical SMILES for methyl 1-methylpyrazolidine-4-carboxylate is COC(=O)C1CNN(C)C1.
What is the InChIKey of methyl 1-methylpyrazolidine-4-carboxylate?
The InChIKey is YTLWQUDAUVKTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-4-5(3-7-8)6(9)10-2/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 1-methylpyrazolidine-4-carboxylate?
methyl 1-methylpyrazolidine-4-carboxylate has a molecular weight of 144.17 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylpyrazolidine-4-carboxylate is sourced from PubChem (CID 84648948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).