4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide

C13H19BrN2O2 — CID 82737719

IUPAC4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H19BrN2O2/c1-3-5-16-8-10(14)7-12(16)13(17)15(2)11-4-6-18-9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyMKELYRIXORQVJU-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.52
Rot. Bonds4

About 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 82737719) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
PubChem CID82737719
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C1CCOC1
InChIInChI=1S/C13H19BrN2O2/c1-3-5-16-8-10(14)7-12(16)13(17)15(2)11-4-6-18-9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyMKELYRIXORQVJU-UHFFFAOYSA-N
XLogP2.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
CID 82740887
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43641304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide (CID 82737719) is 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(C)C1CCOC1.
What is the InChIKey of 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is MKELYRIXORQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-5-16-8-10(14)7-12(16)13(17)15(2)11-4-6-18-9-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 82737719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).