(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

C13H17N3O — CID 56888603

IUPAC(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3cc[nH]c3n2)C[C@H](C)O1
InChIInChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-4-3-11-5-6-14-13(11)15-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10+
InChIKeyZDJZMSBYCOFFTP-AOOOYVTPSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (PubChem CID 56888603) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
PubChem CID56888603
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
SMILESC[C@@H]1CN(c2ccc3cc[nH]c3n2)C[C@H](C)O1
InChIInChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-4-3-11-5-6-14-13(11)15-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10+
InChIKeyZDJZMSBYCOFFTP-AOOOYVTPSA-N
XLogP2.18
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine (CID 56888603) is (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is C[C@@H]1CN(c2ccc3cc[nH]c3n2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
The InChIKey is ZDJZMSBYCOFFTP-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-4-3-11-5-6-14-13(11)15-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine has a molecular weight of 231.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine is sourced from PubChem (CID 56888603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).