4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine

C13H21NO — CID 143615646

IUPAC4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine
SMILESC1=CC(CCCN2CCOCC2)=CCC1
InChIInChI=1S/C13H21NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h2,5-6H,1,3-4,7-12H2
InChIKeyNFZKPBKLKLQQGU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds4

About 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine

4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine (PubChem CID 143615646) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine
PubChem CID143615646
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine
SMILESC1=CC(CCCN2CCOCC2)=CCC1
InChIInChI=1S/C13H21NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h2,5-6H,1,3-4,7-12H2
InChIKeyNFZKPBKLKLQQGU-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The IUPAC name of 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine (CID 143615646) is 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine.
What is the SMILES notation for 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The canonical SMILES for 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine is C1=CC(CCCN2CCOCC2)=CCC1.
What is the InChIKey of 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
The InChIKey is NFZKPBKLKLQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h2,5-6H,1,3-4,7-12H2.
What are the key properties of 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine?
4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine has a molecular weight of 207.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexa-1,5-dien-1-ylpropyl)morpholine is sourced from PubChem (CID 143615646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).