5-(aminomethyl)pyrrolidin-2-one

C5H10N2O — CID 14143189

IUPAC5-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CCC(=O)N1
InChIInChI=1S/C5H10N2O/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)
InChIKeyGFOAHABINHRDKL-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.78
Rot. Bonds1

About 5-(aminomethyl)pyrrolidin-2-one

5-(aminomethyl)pyrrolidin-2-one (PubChem CID 14143189) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 5-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)pyrrolidin-2-one
PubChem CID14143189
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name5-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CCC(=O)N1
InChIInChI=1S/C5H10N2O/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)
InChIKeyGFOAHABINHRDKL-UHFFFAOYSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)pyrrolidin-2-one (CID 14143189) is 5-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)pyrrolidin-2-one is NCC1CCC(=O)N1.
What is the InChIKey of 5-(aminomethyl)pyrrolidin-2-one?
The InChIKey is GFOAHABINHRDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8).
What are the key properties of 5-(aminomethyl)pyrrolidin-2-one?
5-(aminomethyl)pyrrolidin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 14143189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).