[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C14H18N2O3 — CID 55307562

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cccn1C
InChIInChI=1S/C14H18N2O3/c1-4-8-16(9-5-2)13(17)11-19-14(18)12-7-6-10-15(12)3/h4-7,10H,1-2,8-9,11H2,3H3
InChIKeyBVHAZGJFYNBNQX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds7

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 55307562) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID55307562
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cccn1C
InChIInChI=1S/C14H18N2O3/c1-4-8-16(9-5-2)13(17)11-19-14(18)12-7-6-10-15(12)3/h4-7,10H,1-2,8-9,11H2,3H3
InChIKeyBVHAZGJFYNBNQX-UHFFFAOYSA-N
XLogP1.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
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 [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 55307562) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is C=CCN(CC=C)C(=O)COC(=O)c1cccn1C.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is BVHAZGJFYNBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-8-16(9-5-2)13(17)11-19-14(18)12-7-6-10-15(12)3/h4-7,10H,1-2,8-9,11H2,3H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 55307562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).