3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate

C15H18N2O4 — CID 55400779

IUPAC3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCCCOC(=O)c1cccn1C
InChIInChI=1S/C15H18N2O4/c1-16-8-3-6-12(16)14(18)20-10-5-11-21-15(19)13-7-4-9-17(13)2/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyWPZHSFCXGQMWQI-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.77
Rot. Bonds6

About 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate

3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate (PubChem CID 55400779) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
PubChem CID55400779
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCCCOC(=O)c1cccn1C
InChIInChI=1S/C15H18N2O4/c1-16-8-3-6-12(16)14(18)20-10-5-11-21-15(19)13-7-4-9-17(13)2/h3-4,6-9H,5,10-11H2,1-2H3
InChIKeyWPZHSFCXGQMWQI-UHFFFAOYSA-N
XLogP1.77
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluorohexyl 1-methylpyrrole-2-carboxylate
CID 171341955
[4-[(1-methylpyrrole-2-carbonyl)oxymethyl]phenyl]methyl 1-methylpyrrole-2-carboxylate
CID 7229032
9H-fluoren-9-ylmethyl 1-methylpyrrole-2-carboxylate
CID 175706774
2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 84602073
(3-amino-2-hydroxypropyl) 1-methylpyrrole-2-carboxylate
CID 174886318
[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618
(7,7,7-trifluoro-5-fluorosulfonylheptyl) 1-methylpyrrole-2-carboxylate
CID 134938944
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307547
phenyl 1-methylpyrrole-2-carboxylate
CID 15354293
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate (CID 55400779) is 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCCCOC(=O)c1cccn1C.
What is the InChIKey of 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate?
The InChIKey is WPZHSFCXGQMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-8-3-6-12(16)14(18)20-10-5-11-21-15(19)13-7-4-9-17(13)2/h3-4,6-9H,5,10-11H2,1-2H3.
What are the key properties of 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate?
3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 55400779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).