1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one

C13H16N2O — CID 150381870

IUPAC1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESNCc1ccc(/C=C\N2CCCC2=O)cc1
InChIInChI=1S/C13H16N2O/c14-10-12-5-3-11(4-6-12)7-9-15-8-1-2-13(15)16/h3-7,9H,1-2,8,10,14H2/b9-7-
InChIKeyGZXLCGDEVGJPSN-CLFYSBASSA-N
MW216.28 g/mol
LogP1.74
Rot. Bonds3

About 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one

1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one (PubChem CID 150381870) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one
PubChem CID150381870
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one
SMILESNCc1ccc(/C=C\N2CCCC2=O)cc1
InChIInChI=1S/C13H16N2O/c14-10-12-5-3-11(4-6-12)7-9-15-8-1-2-13(15)16/h3-7,9H,1-2,8,10,14H2/b9-7-
InChIKeyGZXLCGDEVGJPSN-CLFYSBASSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one (CID 150381870) is 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one is NCc1ccc(/C=C\N2CCCC2=O)cc1.
What is the InChIKey of 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one?
The InChIKey is GZXLCGDEVGJPSN-CLFYSBASSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-12-5-3-11(4-6-12)7-9-15-8-1-2-13(15)16/h3-7,9H,1-2,8,10,14H2/b9-7-.
What are the key properties of 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one?
1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 150381870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).