(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine

C12H17NO — CID 143984814

IUPAC(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine
SMILESCN1CCO[C@H](C2=CCC=CC=C2)C1
InChIInChI=1S/C12H17NO/c1-13-8-9-14-12(10-13)11-6-4-2-3-5-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyPLFLVBRLOJVPRG-LBPRGKRZSA-N
MW191.27 g/mol
LogP1.76
Rot. Bonds1

About (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine

(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine (PubChem CID 143984814) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine
PubChem CID143984814
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine
SMILESCN1CCO[C@H](C2=CCC=CC=C2)C1
InChIInChI=1S/C12H17NO/c1-13-8-9-14-12(10-13)11-6-4-2-3-5-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyPLFLVBRLOJVPRG-LBPRGKRZSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine?
The IUPAC name of (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine (CID 143984814) is (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine.
What is the SMILES notation for (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine?
The canonical SMILES for (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine is CN1CCO[C@H](C2=CCC=CC=C2)C1.
What is the InChIKey of (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine?
The InChIKey is PLFLVBRLOJVPRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-9-14-12(10-13)11-6-4-2-3-5-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine?
(2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine has a molecular weight of 191.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohepta-1,4,6-trien-1-yl-4-methylmorpholine is sourced from PubChem (CID 143984814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).