5-(aminomethyl)-1-ethylpyrrolidin-2-one

C7H14N2O — CID 21312227

IUPAC5-(aminomethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1CN
InChIInChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3
InChIKeyYNYYSFWJFKGSEY-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds2

About 5-(aminomethyl)-1-ethylpyrrolidin-2-one

5-(aminomethyl)-1-ethylpyrrolidin-2-one (PubChem CID 21312227) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethylpyrrolidin-2-one
PubChem CID21312227
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-(aminomethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CCC1CN
InChIInChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3
InChIKeyYNYYSFWJFKGSEY-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-ethylpyrrolidin-2-one (CID 21312227) is 5-(aminomethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-ethylpyrrolidin-2-one is CCN1C(=O)CCC1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is YNYYSFWJFKGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3.
What are the key properties of 5-(aminomethyl)-1-ethylpyrrolidin-2-one?
5-(aminomethyl)-1-ethylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 21312227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).