2-(2-aminoethyl)cyclopent-2-en-1-one

C7H11NO — CID 163946326

IUPAC2-(2-aminoethyl)cyclopent-2-en-1-one
SMILESNCCC1=CCCC1=O
InChIInChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h2H,1,3-5,8H2
InChIKeyRVKGFKBBXKZZPM-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.62
Rot. Bonds2

About 2-(2-aminoethyl)cyclopent-2-en-1-one

2-(2-aminoethyl)cyclopent-2-en-1-one (PubChem CID 163946326) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-aminoethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)cyclopent-2-en-1-one
PubChem CID163946326
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-aminoethyl)cyclopent-2-en-1-one
SMILESNCCC1=CCCC1=O
InChIInChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h2H,1,3-5,8H2
InChIKeyRVKGFKBBXKZZPM-UHFFFAOYSA-N
XLogP0.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(2-aminoethyl)cyclopent-2-en-1-one (CID 163946326) is 2-(2-aminoethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(2-aminoethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(2-aminoethyl)cyclopent-2-en-1-one is NCCC1=CCCC1=O.
What is the InChIKey of 2-(2-aminoethyl)cyclopent-2-en-1-one?
The InChIKey is RVKGFKBBXKZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-4-6-2-1-3-7(6)9/h2H,1,3-5,8H2.
What are the key properties of 2-(2-aminoethyl)cyclopent-2-en-1-one?
2-(2-aminoethyl)cyclopent-2-en-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 163946326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).