methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate

C11H14N2O4 — CID 171802130

IUPACmethyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate
SMILESC=CCOC(=O)Nc1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C11H14N2O4/c1-4-5-17-11(15)12-8-6-9(10(14)16-3)13(2)7-8/h4,6-7H,1,5H2,2-3H3,(H,12,15)
InChIKeyQICVPWIVWUTJNB-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.55
Rot. Bonds4

About methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate

methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate (PubChem CID 171802130) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate
PubChem CID171802130
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate
SMILESC=CCOC(=O)Nc1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C11H14N2O4/c1-4-5-17-11(15)12-8-6-9(10(14)16-3)13(2)7-8/h4,6-7H,1,5H2,2-3H3,(H,12,15)
InChIKeyQICVPWIVWUTJNB-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate (CID 171802130) is methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate is C=CCOC(=O)Nc1cc(C(=O)OC)n(C)c1.
What is the InChIKey of methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate?
The InChIKey is QICVPWIVWUTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-5-17-11(15)12-8-6-9(10(14)16-3)13(2)7-8/h4,6-7H,1,5H2,2-3H3,(H,12,15).
What are the key properties of methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate?
methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(prop-2-enoxycarbonylamino)pyrrole-2-carboxylate is sourced from PubChem (CID 171802130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).