5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

C9H16N2O — CID 82503119

IUPAC5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CCC1CN
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-8(5-10)3-4-9(11)12/h8H,1,3-6,10H2,2H3
InChIKeyGSEWFGQPTXPOJH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

About 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 82503119) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID82503119
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CCC1CN
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-8(5-10)3-4-9(11)12/h8H,1,3-6,10H2,2H3
InChIKeyGSEWFGQPTXPOJH-UHFFFAOYSA-N
XLogP0.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 82503119) is 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1C(=O)CCC1CN.
What is the InChIKey of 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is GSEWFGQPTXPOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)6-11-8(5-10)3-4-9(11)12/h8H,1,3-6,10H2,2H3.
What are the key properties of 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 82503119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).