2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one

C14H17NO — CID 788462

IUPAC2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one
SMILESCC1=C(NCCc2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO/c1-11-13(7-8-14(11)16)15-10-9-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
InChIKeyIVBNBQKMZITYQC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.46
Rot. Bonds4

About 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one

2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one (PubChem CID 788462) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one
PubChem CID788462
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one
SMILESCC1=C(NCCc2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO/c1-11-13(7-8-14(11)16)15-10-9-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
InChIKeyIVBNBQKMZITYQC-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one (CID 788462) is 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one is CC1=C(NCCc2ccccc2)CCC1=O.
What is the InChIKey of 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one?
The InChIKey is IVBNBQKMZITYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-13(7-8-14(11)16)15-10-9-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one?
2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 788462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).