3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one

C13H15NO — CID 104788283

IUPAC3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one
SMILESCc1cccc(CNC2=CC(=O)CC2)c1
InChIInChI=1S/C13H15NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13(15)8-12/h2-4,7-8,14H,5-6,9H2,1H3
InChIKeyNZADLHQNAQFHBQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one

3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788283) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one
PubChem CID104788283
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one
SMILESCc1cccc(CNC2=CC(=O)CC2)c1
InChIInChI=1S/C13H15NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13(15)8-12/h2-4,7-8,14H,5-6,9H2,1H3
InChIKeyNZADLHQNAQFHBQ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-methylphenoxy)ethylamino]cyclopent-2-en-1-one
CID 104788417
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
2-chloro-N-[(3-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682081
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one (CID 104788283) is 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one is Cc1cccc(CNC2=CC(=O)CC2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one?
The InChIKey is NZADLHQNAQFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-3-2-4-11(7-10)9-14-12-5-6-13(15)8-12/h2-4,7-8,14H,5-6,9H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one?
3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).