methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate

C14H19NO4 — CID 135001411

IUPACmethyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)C1=C(C2C=CCN2C(=O)OC)CCCC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)11-7-4-3-6-10(11)12-8-5-9-15(12)14(17)19-2/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyMLIVJVUTPSCYDP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate

methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate (PubChem CID 135001411) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
PubChem CID135001411
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)C1=C(C2C=CCN2C(=O)OC)CCCC1
InChIInChI=1S/C14H19NO4/c1-18-13(16)11-7-4-3-6-10(11)12-8-5-9-15(12)14(17)19-2/h5,8,12H,3-4,6-7,9H2,1-2H3
InChIKeyMLIVJVUTPSCYDP-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
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 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate (CID 135001411) is methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate is COC(=O)C1=C(C2C=CCN2C(=O)OC)CCCC1.
What is the InChIKey of methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is MLIVJVUTPSCYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13(16)11-7-4-3-6-10(11)12-8-5-9-15(12)14(17)19-2/h5,8,12H,3-4,6-7,9H2,1-2H3.
What are the key properties of methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 135001411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).