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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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).