2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile

C19H17N3O2 — CID 10403662

IUPAC2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
SMILESN#Cc1cccc2c1C=Cc1ncc(N3CCOCC3)cc1C2O
InChIInChI=1S/C19H17N3O2/c20-11-13-2-1-3-16-15(13)4-5-18-17(19(16)23)10-14(12-21-18)22-6-8-24-9-7-22/h1-5,10,12,19,23H,6-9H2
InChIKeyQFTMHHOLGICHDO-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.36
Rot. Bonds1

About 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile

2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile (PubChem CID 10403662) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
PubChem CID10403662
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
SMILESN#Cc1cccc2c1C=Cc1ncc(N3CCOCC3)cc1C2O
InChIInChI=1S/C19H17N3O2/c20-11-13-2-1-3-16-15(13)4-5-18-17(19(16)23)10-14(12-21-18)22-6-8-24-9-7-22/h1-5,10,12,19,23H,6-9H2
InChIKeyQFTMHHOLGICHDO-UHFFFAOYSA-N
XLogP2.36
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile?
The IUPAC name of 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile (CID 10403662) is 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile.
What is the SMILES notation for 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile?
The canonical SMILES for 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile is N#Cc1cccc2c1C=Cc1ncc(N3CCOCC3)cc1C2O.
What is the InChIKey of 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile?
The InChIKey is QFTMHHOLGICHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-11-13-2-1-3-16-15(13)4-5-18-17(19(16)23)10-14(12-21-18)22-6-8-24-9-7-22/h1-5,10,12,19,23H,6-9H2.
What are the key properties of 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile?
2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-morpholin-4-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile is sourced from PubChem (CID 10403662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).