6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile

C15H17BrN2O — CID 63630645

IUPAC6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(N2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H17BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10H2
InChIKeyFHXSRBZISCDYFJ-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.53
Rot. Bonds1

About 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile

6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 63630645) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID63630645
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(N2CCOCC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H17BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10H2
InChIKeyFHXSRBZISCDYFJ-UHFFFAOYSA-N
XLogP2.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 63630645) is 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(N2CCOCC2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is FHXSRBZISCDYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-14-2-1-13-10-15(11-17,4-3-12(13)9-14)18-5-7-19-8-6-18/h1-2,9H,3-8,10H2.
What are the key properties of 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile?
6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 321.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-morpholin-4-yl-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 63630645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).