methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride

C8H14ClNO3 — CID 155977912

IUPACmethyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride
SMILESCOCC1(C(=O)OC)C=CCN1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h3-4,9H,5-6H2,1-2H3;1H
InChIKeyIKUIRBVFNNANHH-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.13
Rot. Bonds3

About methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride

methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride (PubChem CID 155977912) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride
PubChem CID155977912
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Namemethyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride
SMILESCOCC1(C(=O)OC)C=CCN1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h3-4,9H,5-6H2,1-2H3;1H
InChIKeyIKUIRBVFNNANHH-UHFFFAOYSA-N
XLogP0.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride (CID 155977912) is methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride is COCC1(C(=O)OC)C=CCN1.Cl.
What is the InChIKey of methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride?
The InChIKey is IKUIRBVFNNANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h3-4,9H,5-6H2,1-2H3;1H.
What are the key properties of methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride?
methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate;hydrochloride is sourced from PubChem (CID 155977912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).