4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine

C11H17NO — CID 89399005

IUPAC4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCC1=CCC(N2CCOCC2)C=C1
InChIInChI=1S/C11H17NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-4,11H,5-9H2,1H3
InChIKeyBTWMQMHXZQXPFE-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.59
Rot. Bonds1

About 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine

4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine (PubChem CID 89399005) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
PubChem CID89399005
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCC1=CCC(N2CCOCC2)C=C1
InChIInChI=1S/C11H17NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-4,11H,5-9H2,1H3
InChIKeyBTWMQMHXZQXPFE-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine?
The IUPAC name of 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine (CID 89399005) is 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine is CC1=CCC(N2CCOCC2)C=C1.
What is the InChIKey of 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine?
The InChIKey is BTWMQMHXZQXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-4,11H,5-9H2,1H3.
What are the key properties of 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine?
4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine has a molecular weight of 179.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-2,4-dien-1-yl)morpholine is sourced from PubChem (CID 89399005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).