(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone

C14H15ClN2O2 — CID 94200597

IUPAC(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-8-19-7-6-17(9)14(18)13-12(15)10-4-2-3-5-11(10)16-13/h2-5,9,16H,6-8H2,1H3/t9-/m0/s1
InChIKeyJWSFZPASJARVQK-VIFPVBQESA-N
MW278.74 g/mol
LogP2.68
Rot. Bonds1

About (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone

(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 94200597) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID94200597
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H15ClN2O2/c1-9-8-19-7-6-17(9)14(18)13-12(15)10-4-2-3-5-11(10)16-13/h2-5,9,16H,6-8H2,1H3/t9-/m0/s1
InChIKeyJWSFZPASJARVQK-VIFPVBQESA-N
XLogP2.68
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone (CID 94200597) is (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone is C[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is JWSFZPASJARVQK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-8-19-7-6-17(9)14(18)13-12(15)10-4-2-3-5-11(10)16-13/h2-5,9,16H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone?
(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone has a molecular weight of 278.74 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 94200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).