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

C6H9NO — CID 54565407

IUPAC2-(aminomethyl)cyclopent-2-en-1-one
SMILESNCC1=CCCC1=O
InChIInChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h2H,1,3-4,7H2
InChIKeyZTLSPGBEJBLNRG-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.23
Rot. Bonds1

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

2-(aminomethyl)cyclopent-2-en-1-one (PubChem CID 54565407) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-(aminomethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(aminomethyl)cyclopent-2-en-1-one
PubChem CID54565407
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-(aminomethyl)cyclopent-2-en-1-one
SMILESNCC1=CCCC1=O
InChIInChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h2H,1,3-4,7H2
InChIKeyZTLSPGBEJBLNRG-UHFFFAOYSA-N
XLogP0.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(aminomethyl)cyclopent-2-en-1-one (CID 54565407) is 2-(aminomethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(aminomethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(aminomethyl)cyclopent-2-en-1-one is NCC1=CCCC1=O.
What is the InChIKey of 2-(aminomethyl)cyclopent-2-en-1-one?
The InChIKey is ZTLSPGBEJBLNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h2H,1,3-4,7H2.
What are the key properties of 2-(aminomethyl)cyclopent-2-en-1-one?
2-(aminomethyl)cyclopent-2-en-1-one has a molecular weight of 111.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 54565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).