(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone

C14H15BrN2O2 — CID 30787030

IUPAC(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)13-7-10-6-11(15)2-3-12(10)16-13/h2-3,6-7,9,16H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyDKDNKSCDVQBHMM-SECBINFHSA-N
MW323.19 g/mol
LogP2.79
Rot. Bonds1

About (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone

(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 30787030) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID30787030
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)13-7-10-6-11(15)2-3-12(10)16-13/h2-3,6-7,9,16H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyDKDNKSCDVQBHMM-SECBINFHSA-N
XLogP2.79
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-bromo-1H-indol-2-yl)methanone
CID 56819225
(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
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(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
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CID 119175453
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (CID 30787030) is (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3[nH]2)CCO1.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is DKDNKSCDVQBHMM-SECBINFHSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-8-17(4-5-19-9)14(18)13-7-10-6-11(15)2-3-12(10)16-13/h2-3,6-7,9,16H,4-5,8H2,1H3/t9-/m1/s1.
What are the key properties of (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone?
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 323.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 30787030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).