methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate

C9H15NO3 — CID 138987540

IUPACmethyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1CC(OC)=NC1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(8(11)13-4)5-7(10-9)12-3/h6H,5H2,1-4H3
InChIKeyPZYMXHVDEKCZGW-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.00
Rot. Bonds1

About methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate

methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate (PubChem CID 138987540) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
PubChem CID138987540
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1CC(OC)=NC1(C)C
InChIInChI=1S/C9H15NO3/c1-9(2)6(8(11)13-4)5-7(10-9)12-3/h6H,5H2,1-4H3
InChIKeyPZYMXHVDEKCZGW-UHFFFAOYSA-N
XLogP1.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate?
The IUPAC name of methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate (CID 138987540) is methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate is COC(=O)C1CC(OC)=NC1(C)C.
What is the InChIKey of methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate?
The InChIKey is PZYMXHVDEKCZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2)6(8(11)13-4)5-7(10-9)12-3/h6H,5H2,1-4H3.
What are the key properties of methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate?
methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2,2-dimethyl-3,4-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 138987540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).