(3S)-3-(1H-indol-4-yl)morpholine

C12H14N2O — CID 96761746

IUPAC(3S)-3-(1H-indol-4-yl)morpholine
SMILESc1cc([C@H]2COCCN2)c2cc[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-2-9(12-8-15-7-6-14-12)10-4-5-13-11(10)3-1/h1-5,12-14H,6-8H2/t12-/m1/s1
InChIKeyAQYQPZKUNOSLAG-GFCCVEGCSA-N
MW202.26 g/mol
LogP1.83
Rot. Bonds1

About (3S)-3-(1H-indol-4-yl)morpholine

(3S)-3-(1H-indol-4-yl)morpholine (PubChem CID 96761746) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3S)-3-(1H-indol-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(1H-indol-4-yl)morpholine
PubChem CID96761746
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3S)-3-(1H-indol-4-yl)morpholine
SMILESc1cc([C@H]2COCCN2)c2cc[nH]c2c1
InChIInChI=1S/C12H14N2O/c1-2-9(12-8-15-7-6-14-12)10-4-5-13-11(10)3-1/h1-5,12-14H,6-8H2/t12-/m1/s1
InChIKeyAQYQPZKUNOSLAG-GFCCVEGCSA-N
XLogP1.83
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-4-yl)morpholine?
The IUPAC name of (3S)-3-(1H-indol-4-yl)morpholine (CID 96761746) is (3S)-3-(1H-indol-4-yl)morpholine.
What is the SMILES notation for (3S)-3-(1H-indol-4-yl)morpholine?
The canonical SMILES for (3S)-3-(1H-indol-4-yl)morpholine is c1cc([C@H]2COCCN2)c2cc[nH]c2c1.
What is the InChIKey of (3S)-3-(1H-indol-4-yl)morpholine?
The InChIKey is AQYQPZKUNOSLAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-9(12-8-15-7-6-14-12)10-4-5-13-11(10)3-1/h1-5,12-14H,6-8H2/t12-/m1/s1.
What are the key properties of (3S)-3-(1H-indol-4-yl)morpholine?
(3S)-3-(1H-indol-4-yl)morpholine has a molecular weight of 202.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-4-yl)morpholine is sourced from PubChem (CID 96761746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).