3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one

C11H19NO3 — CID 104787763

IUPAC3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one
SMILESCOCCN(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-14-7-5-12(6-8-15-2)10-3-4-11(13)9-10/h9H,3-8H2,1-2H3
InChIKeyAMQGVOSQZQARMC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds7

About 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one

3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787763) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one
PubChem CID104787763
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one
SMILESCOCCN(CCOC)C1=CC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-14-7-5-12(6-8-15-2)10-3-4-11(13)9-10/h9H,3-8H2,1-2H3
InChIKeyAMQGVOSQZQARMC-UHFFFAOYSA-N
XLogP0.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one (CID 104787763) is 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one is COCCN(CCOC)C1=CC(=O)CC1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one?
The InChIKey is AMQGVOSQZQARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-7-5-12(6-8-15-2)10-3-4-11(13)9-10/h9H,3-8H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one?
3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one has a molecular weight of 213.28 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).