cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one

C11H18N2O2 — CID 67488046

IUPACcyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C2CC2)C1.NC1CC1
InChIInChI=1S/C8H11NO2.C3H7N/c1-11-7-4-8(10)9(5-7)6-2-3-6;4-3-1-2-3/h4,6H,2-3,5H2,1H3;3H,1-2,4H2
InChIKeyYMQUBUANJLODNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.63
Rot. Bonds2

About cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one

cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one (PubChem CID 67488046) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Namecyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
PubChem CID67488046
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namecyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C2CC2)C1.NC1CC1
InChIInChI=1S/C8H11NO2.C3H7N/c1-11-7-4-8(10)9(5-7)6-2-3-6;4-3-1-2-3/h4,6H,2-3,5H2,1H3;3H,1-2,4H2
InChIKeyYMQUBUANJLODNU-UHFFFAOYSA-N
XLogP0.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The IUPAC name of cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one (CID 67488046) is cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one.
What is the SMILES notation for cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The canonical SMILES for cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one is COC1=CC(=O)N(C2CC2)C1.NC1CC1.
What is the InChIKey of cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The InChIKey is YMQUBUANJLODNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C3H7N/c1-11-7-4-8(10)9(5-7)6-2-3-6;4-3-1-2-3/h4,6H,2-3,5H2,1H3;3H,1-2,4H2.
What are the key properties of cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;1-cyclopropyl-3-methoxy-2H-pyrrol-5-one is sourced from PubChem (CID 67488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).