3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one

C11H17NO2 — CID 104787774

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
SMILESCN(CC1CCCO1)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-12(8-11-3-2-6-14-11)9-4-5-10(13)7-9/h7,11H,2-6,8H2,1H3
InChIKeyTVTBMESEKMPRMJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds3

About 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one

3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787774) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
PubChem CID104787774
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one
SMILESCN(CC1CCCO1)C1=CC(=O)CC1
InChIInChI=1S/C11H17NO2/c1-12(8-11-3-2-6-14-11)9-4-5-10(13)7-9/h7,11H,2-6,8H2,1H3
InChIKeyTVTBMESEKMPRMJ-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one (CID 104787774) is 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one is CN(CC1CCCO1)C1=CC(=O)CC1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one?
The InChIKey is TVTBMESEKMPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(8-11-3-2-6-14-11)9-4-5-10(13)7-9/h7,11H,2-6,8H2,1H3.
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one?
3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).