4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine

C11H17NO — CID 122630699

IUPAC4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine
SMILESCC1=C(C)CC(N2CCOCC2)=C1
InChIInChI=1S/C11H17NO/c1-9-7-11(8-10(9)2)12-3-5-13-6-4-12/h7H,3-6,8H2,1-2H3
InChIKeyRMVRIEZVVUTGIS-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.94
Rot. Bonds1

About 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine

4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine (PubChem CID 122630699) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine
PubChem CID122630699
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine
SMILESCC1=C(C)CC(N2CCOCC2)=C1
InChIInChI=1S/C11H17NO/c1-9-7-11(8-10(9)2)12-3-5-13-6-4-12/h7H,3-6,8H2,1-2H3
InChIKeyRMVRIEZVVUTGIS-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Morpholinocyclopentene
CID 70294
4-[(E)-pent-2-en-3-yl]morpholine
CID 5839066
3-Morpholino-2-pentene
CID 10964743
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
4-[1-(6-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
CID 163449747
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
4-Cyclohexa-1,3-dien-1-ylmorpholine
CID 12664078
4-[(E)-hept-3-en-4-yl]morpholine
CID 6513160
Morpholine, 4-[1-(1-cyclohexen-1-yl)ethenyl]-
CID 10867194

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine?
The IUPAC name of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine (CID 122630699) is 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine?
The canonical SMILES for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine is CC1=C(C)CC(N2CCOCC2)=C1.
What is the InChIKey of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine?
The InChIKey is RMVRIEZVVUTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-11(8-10(9)2)12-3-5-13-6-4-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine?
4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine has a molecular weight of 179.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)morpholine is sourced from PubChem (CID 122630699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).