(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone

C15H21BrN2O — CID 47268425

IUPAC(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H21BrN2O/c16-12-9-13(17-10-12)15(19)18-8-4-7-14(18)11-5-2-1-3-6-11/h9-11,14,17H,1-8H2
InChIKeyHPPKWVNIFFMMSX-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.96
Rot. Bonds2

About (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 47268425) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID47268425
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H21BrN2O/c16-12-9-13(17-10-12)15(19)18-8-4-7-14(18)11-5-2-1-3-6-11/h9-11,14,17H,1-8H2
InChIKeyHPPKWVNIFFMMSX-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411245
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyrrole-3-carbonitrile
CID 127403442
1-(4-bromo-1H-pyrrole-2-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471079
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 65309174
(4-bromo-1-methylpyrrol-2-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 61244728
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-1H-pyrazol-5-yl)methanone
CID 64524820
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 66849695
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 51534111
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103718289

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone (CID 47268425) is (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone is O=C(c1cc(Br)c[nH]1)N1CCCC1C1CCCCC1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is HPPKWVNIFFMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-12-9-13(17-10-12)15(19)18-8-4-7-14(18)11-5-2-1-3-6-11/h9-11,14,17H,1-8H2.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 325.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47268425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).