4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one

C12H17NO2 — CID 70224383

IUPAC4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one
SMILESCCC1=CCC(N2CCOCC2=O)C=C1
InChIInChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)13-7-8-15-9-12(13)14/h3-5,11H,2,6-9H2,1H3
InChIKeyGWPBFPYGOSYIHZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.51
Rot. Bonds2

About 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one

4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one (PubChem CID 70224383) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one
PubChem CID70224383
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one
SMILESCCC1=CCC(N2CCOCC2=O)C=C1
InChIInChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)13-7-8-15-9-12(13)14/h3-5,11H,2,6-9H2,1H3
InChIKeyGWPBFPYGOSYIHZ-UHFFFAOYSA-N
XLogP1.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one?
The IUPAC name of 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one (CID 70224383) is 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one.
What is the SMILES notation for 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one?
The canonical SMILES for 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one is CCC1=CCC(N2CCOCC2=O)C=C1.
What is the InChIKey of 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one?
The InChIKey is GWPBFPYGOSYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-10-3-5-11(6-4-10)13-7-8-15-9-12(13)14/h3-5,11H,2,6-9H2,1H3.
What are the key properties of 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one?
4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one has a molecular weight of 207.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexa-2,4-dien-1-yl)morpholin-3-one is sourced from PubChem (CID 70224383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).