4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine

C13H16BrNO — CID 90378712

IUPAC4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine
SMILESCC(CC1=C=C=C(Br)C=C1)N1CCOCC1
InChIInChI=1S/C13H16BrNO/c1-11(15-6-8-16-9-7-15)10-12-2-4-13(14)5-3-12/h2,4,11H,6-10H2,1H3
InChIKeyOVAHPYOVOMWKID-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.63
Rot. Bonds3

About 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine

4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine (PubChem CID 90378712) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine
PubChem CID90378712
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine
SMILESCC(CC1=C=C=C(Br)C=C1)N1CCOCC1
InChIInChI=1S/C13H16BrNO/c1-11(15-6-8-16-9-7-15)10-12-2-4-13(14)5-3-12/h2,4,11H,6-10H2,1H3
InChIKeyOVAHPYOVOMWKID-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine (CID 90378712) is 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine is CC(CC1=C=C=C(Br)C=C1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine?
The InChIKey is OVAHPYOVOMWKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-11(15-6-8-16-9-7-15)10-12-2-4-13(14)5-3-12/h2,4,11H,6-10H2,1H3.
What are the key properties of 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine?
4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine has a molecular weight of 282.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine is sourced from PubChem (CID 90378712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).