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

C7H14N2O — CID 15737590

IUPAC(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CC[C@H]1CN
InChIInChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyYNYYSFWJFKGSEY-LURJTMIESA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds2

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

(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one (PubChem CID 15737590) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
PubChem CID15737590
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one
SMILESCCN1C(=O)CC[C@H]1CN
InChIInChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyYNYYSFWJFKGSEY-LURJTMIESA-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 (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one (CID 15737590) is (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one is CCN1C(=O)CC[C@H]1CN.
What is the InChIKey of (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one?
The InChIKey is YNYYSFWJFKGSEY-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-9-6(5-8)3-4-7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one?
(5S)-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 (5S)-5-(aminomethyl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 15737590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).