(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H16BrNO3 — CID 79030457

IUPAC(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H]1CO
InChIInChI=1S/C15H16BrNO3/c16-12-3-4-14-10(7-12)6-11(9-20-14)15(19)17-5-1-2-13(17)8-18/h3-4,6-7,13,18H,1-2,5,8-9H2/t13-/m1/s1
InChIKeyWYIWMMJGUZQADQ-CYBMUJFWSA-N
MW338.20 g/mol
LogP2.21
Rot. Bonds2

About (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 79030457) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID79030457
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H]1CO
InChIInChI=1S/C15H16BrNO3/c16-12-3-4-14-10(7-12)6-11(9-20-14)15(19)17-5-1-2-13(17)8-18/h3-4,6-7,13,18H,1-2,5,8-9H2/t13-/m1/s1
InChIKeyWYIWMMJGUZQADQ-CYBMUJFWSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
(6-bromo-2H-chromen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029938
[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 32890239
(5-bromo-2-hydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955443
(6-methoxy-2H-chromen-3-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124684607
2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110887040
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028312
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410964
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
(3,5-dibromophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103909408
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 93042933
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 79030457) is (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H]1CO.
What is the InChIKey of (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WYIWMMJGUZQADQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-12-3-4-14-10(7-12)6-11(9-20-14)15(19)17-5-1-2-13(17)8-18/h3-4,6-7,13,18H,1-2,5,8-9H2/t13-/m1/s1.
What are the key properties of (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 338.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).