3-(benzylamino)-2-methylcyclopent-2-en-1-one

C13H15NO — CID 788463

IUPAC3-(benzylamino)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(NCc2ccccc2)CCC1=O
InChIInChI=1S/C13H15NO/c1-10-12(7-8-13(10)15)14-9-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3
InChIKeyMYVKLJJOLIZSTA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.41
Rot. Bonds3

About 3-(benzylamino)-2-methylcyclopent-2-en-1-one

3-(benzylamino)-2-methylcyclopent-2-en-1-one (PubChem CID 788463) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(benzylamino)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(benzylamino)-2-methylcyclopent-2-en-1-one
PubChem CID788463
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(benzylamino)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(NCc2ccccc2)CCC1=O
InChIInChI=1S/C13H15NO/c1-10-12(7-8-13(10)15)14-9-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3
InChIKeyMYVKLJJOLIZSTA-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(benzylamino)-2-methylcyclopent-2-en-1-one (CID 788463) is 3-(benzylamino)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(benzylamino)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(benzylamino)-2-methylcyclopent-2-en-1-one is CC1=C(NCc2ccccc2)CCC1=O.
What is the InChIKey of 3-(benzylamino)-2-methylcyclopent-2-en-1-one?
The InChIKey is MYVKLJJOLIZSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-12(7-8-13(10)15)14-9-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3.
What are the key properties of 3-(benzylamino)-2-methylcyclopent-2-en-1-one?
3-(benzylamino)-2-methylcyclopent-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).