2-(4-chloro-1H-indol-5-yl)morpholine

C12H13ClN2O — CID 115004267

IUPAC2-(4-chloro-1H-indol-5-yl)morpholine
SMILESClc1c(C2CNCCO2)ccc2[nH]ccc12
InChIInChI=1S/C12H13ClN2O/c13-12-8-3-4-15-10(8)2-1-9(12)11-7-14-5-6-16-11/h1-4,11,14-15H,5-7H2
InChIKeyDEJCQDDGGWBPTE-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.48
Rot. Bonds1

About 2-(4-chloro-1H-indol-5-yl)morpholine

2-(4-chloro-1H-indol-5-yl)morpholine (PubChem CID 115004267) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(4-chloro-1H-indol-5-yl)morpholine.

Molecular Properties

Compound Name2-(4-chloro-1H-indol-5-yl)morpholine
PubChem CID115004267
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(4-chloro-1H-indol-5-yl)morpholine
SMILESClc1c(C2CNCCO2)ccc2[nH]ccc12
InChIInChI=1S/C12H13ClN2O/c13-12-8-3-4-15-10(8)2-1-9(12)11-7-14-5-6-16-11/h1-4,11,14-15H,5-7H2
InChIKeyDEJCQDDGGWBPTE-UHFFFAOYSA-N
XLogP2.48
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methyl-1H-indol-5-yl)morpholine
CID 117380167
7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane
CID 82622821
2-(7-methoxy-1H-indol-4-yl)morpholine
CID 115004261
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
CID 117475166
2-(2-ethyl-1H-pyrrol-3-yl)morpholine
CID 174889160
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
5-chloro-2-morpholin-2-ylbenzoic acid
CID 174949495
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-indol-5-yl)morpholine?
The IUPAC name of 2-(4-chloro-1H-indol-5-yl)morpholine (CID 115004267) is 2-(4-chloro-1H-indol-5-yl)morpholine.
What is the SMILES notation for 2-(4-chloro-1H-indol-5-yl)morpholine?
The canonical SMILES for 2-(4-chloro-1H-indol-5-yl)morpholine is Clc1c(C2CNCCO2)ccc2[nH]ccc12.
What is the InChIKey of 2-(4-chloro-1H-indol-5-yl)morpholine?
The InChIKey is DEJCQDDGGWBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-12-8-3-4-15-10(8)2-1-9(12)11-7-14-5-6-16-11/h1-4,11,14-15H,5-7H2.
What are the key properties of 2-(4-chloro-1H-indol-5-yl)morpholine?
2-(4-chloro-1H-indol-5-yl)morpholine has a molecular weight of 236.70 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-indol-5-yl)morpholine is sourced from PubChem (CID 115004267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).