(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone

C13H19BrN2O — CID 112695890

IUPAC(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C13H19BrN2O/c1-3-4-10-5-6-16(8-10)13(17)12-7-11(14)9-15(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyWQDPXPYXYPIPRD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.05
Rot. Bonds3

About (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone

(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 112695890) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID112695890
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C13H19BrN2O/c1-3-4-10-5-6-16(8-10)13(17)12-7-11(14)9-15(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyWQDPXPYXYPIPRD-UHFFFAOYSA-N
XLogP3.05
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115
(4-bromo-1-methylpyrrol-2-yl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 71994005
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212
1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918294
(4-bromo-1-methylpyrrol-2-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81483261
(4-bromo-1-methylpyrrol-2-yl)-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 96565183
(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669629
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409185
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
1-[4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43411268

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 112695890) is (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2cc(Br)cn2C)C1.
What is the InChIKey of (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is WQDPXPYXYPIPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-10-5-6-16(8-10)13(17)12-7-11(14)9-15(12)2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 299.21 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112695890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).