1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one

C11H19N3O2 — CID 62063066

IUPAC1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
SMILESNCC1CCN(CC(=O)N2CCCC2=O)C1
InChIInChI=1S/C11H19N3O2/c12-6-9-3-5-13(7-9)8-11(16)14-4-1-2-10(14)15/h9H,1-8,12H2
InChIKeyUQVJQAYJFRKWTF-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.58
Rot. Bonds3

About 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one

1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 62063066) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
PubChem CID62063066
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
SMILESNCC1CCN(CC(=O)N2CCCC2=O)C1
InChIInChI=1S/C11H19N3O2/c12-6-9-3-5-13(7-9)8-11(16)14-4-1-2-10(14)15/h9H,1-8,12H2
InChIKeyUQVJQAYJFRKWTF-UHFFFAOYSA-N
XLogP-0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62371576
1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 61204984
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]pyrrolidin-2-one
CID 66195419
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
1-(2-morpholin-4-ylacetyl)piperidin-2-one
CID 122506860
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one (CID 62063066) is 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one is NCC1CCN(CC(=O)N2CCCC2=O)C1.
What is the InChIKey of 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is UQVJQAYJFRKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-6-9-3-5-13(7-9)8-11(16)14-4-1-2-10(14)15/h9H,1-8,12H2.
What are the key properties of 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 62063066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).