4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine

C13H19NO — CID 130216595

IUPAC4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine
SMILESCC1=CC=C(N2CCOCC2)C(C)C=C1
InChIInChI=1S/C13H19NO/c1-11-3-5-12(2)13(6-4-11)14-7-9-15-10-8-14/h3-6,12H,7-10H2,1-2H3
InChIKeyXILLSSNLVXNUME-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds1

About 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine

4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine (PubChem CID 130216595) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine.

Molecular Properties

Compound Name4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine
PubChem CID130216595
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine
SMILESCC1=CC=C(N2CCOCC2)C(C)C=C1
InChIInChI=1S/C13H19NO/c1-11-3-5-12(2)13(6-4-11)14-7-9-15-10-8-14/h3-6,12H,7-10H2,1-2H3
InChIKeyXILLSSNLVXNUME-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine?
The IUPAC name of 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine (CID 130216595) is 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine.
What is the SMILES notation for 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine?
The canonical SMILES for 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine is CC1=CC=C(N2CCOCC2)C(C)C=C1.
What is the InChIKey of 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine?
The InChIKey is XILLSSNLVXNUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-3-5-12(2)13(6-4-11)14-7-9-15-10-8-14/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine?
4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethylcyclohepta-1,3,5-trien-1-yl)morpholine is sourced from PubChem (CID 130216595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).