8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile

C14H13BrN2O2 — CID 134867812

IUPAC8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile
SMILESN#CC1=Cc2cccc(Br)c2OC1N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-12-3-1-2-10-8-11(9-16)14(19-13(10)12)17-4-6-18-7-5-17/h1-3,8,14H,4-7H2
InChIKeyUBZRHRODNDIJDN-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.41
Rot. Bonds1

About 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile

8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile (PubChem CID 134867812) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile.

Molecular Properties

Compound Name8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile
PubChem CID134867812
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile
SMILESN#CC1=Cc2cccc(Br)c2OC1N1CCOCC1
InChIInChI=1S/C14H13BrN2O2/c15-12-3-1-2-10-8-11(9-16)14(19-13(10)12)17-4-6-18-7-5-17/h1-3,8,14H,4-7H2
InChIKeyUBZRHRODNDIJDN-UHFFFAOYSA-N
XLogP2.41
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile?
The IUPAC name of 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile (CID 134867812) is 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile.
What is the SMILES notation for 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile?
The canonical SMILES for 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile is N#CC1=Cc2cccc(Br)c2OC1N1CCOCC1.
What is the InChIKey of 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile?
The InChIKey is UBZRHRODNDIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-3-1-2-10-8-11(9-16)14(19-13(10)12)17-4-6-18-7-5-17/h1-3,8,14H,4-7H2.
What are the key properties of 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile?
8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile has a molecular weight of 321.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-morpholin-4-yl-2H-chromene-3-carbonitrile is sourced from PubChem (CID 134867812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).