propyl 4-bromo-1-ethylpyrrole-2-carboxylate

C10H14BrNO2 — CID 78918335

IUPACpropyl 4-bromo-1-ethylpyrrole-2-carboxylate
SMILESCCCOC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C10H14BrNO2/c1-3-5-14-10(13)9-6-8(11)7-12(9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyFIURSKPBJJYMSK-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.84
Rot. Bonds4

About propyl 4-bromo-1-ethylpyrrole-2-carboxylate

propyl 4-bromo-1-ethylpyrrole-2-carboxylate (PubChem CID 78918335) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is propyl 4-bromo-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namepropyl 4-bromo-1-ethylpyrrole-2-carboxylate
PubChem CID78918335
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Namepropyl 4-bromo-1-ethylpyrrole-2-carboxylate
SMILESCCCOC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C10H14BrNO2/c1-3-5-14-10(13)9-6-8(11)7-12(9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyFIURSKPBJJYMSK-UHFFFAOYSA-N
XLogP2.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
nonyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 63450638
ethyl 4-bromo-1-[[(2S)-oxiran-2-yl]methyl]pyrrole-2-carboxylate
CID 155376661
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
ethyl 1-ethyl-4-iodopyrrole-2-carboxylate
CID 68698718
(4-bromophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314717
methyl 1-(2-amino-2-oxoethyl)-4-bromopyrrole-2-carboxylate
CID 162514147
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 65191144
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622

Frequently Asked Questions

What is the IUPAC name of propyl 4-bromo-1-ethylpyrrole-2-carboxylate?
The IUPAC name of propyl 4-bromo-1-ethylpyrrole-2-carboxylate (CID 78918335) is propyl 4-bromo-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for propyl 4-bromo-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for propyl 4-bromo-1-ethylpyrrole-2-carboxylate is CCCOC(=O)c1cc(Br)cn1CC.
What is the InChIKey of propyl 4-bromo-1-ethylpyrrole-2-carboxylate?
The InChIKey is FIURSKPBJJYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-3-5-14-10(13)9-6-8(11)7-12(9)4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of propyl 4-bromo-1-ethylpyrrole-2-carboxylate?
propyl 4-bromo-1-ethylpyrrole-2-carboxylate has a molecular weight of 260.13 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-bromo-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 78918335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).