4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide

C14H19BrN2O2 — CID 82738456

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-9-12(5-6-19-9)16(2)14(18)13-7-10(15)8-17(13)11-3-4-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVNBHHYXOOZHUMA-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.83
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide (PubChem CID 82738456) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
PubChem CID82738456
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-9-12(5-6-19-9)16(2)14(18)13-7-10(15)8-17(13)11-3-4-11/h7-9,11-12H,3-6H2,1-2H3
InChIKeyVNBHHYXOOZHUMA-UHFFFAOYSA-N
XLogP2.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide (CID 82738456) is 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide is CC1OCCC1N(C)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide?
The InChIKey is VNBHHYXOOZHUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-12(5-6-19-9)16(2)14(18)13-7-10(15)8-17(13)11-3-4-11/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 82738456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).