5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one

C12H17N3O — CID 107529769

IUPAC5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
SMILESC[C@H](NCC1CCC(=O)N1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(11-4-2-3-7-13-11)14-8-10-5-6-12(16)15-10/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyWBNMICGVZFBFPH-RGURZIINSA-N
MW219.29 g/mol
LogP1.01
Rot. Bonds4

About 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one

5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one (PubChem CID 107529769) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
PubChem CID107529769
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
SMILESC[C@H](NCC1CCC(=O)N1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(11-4-2-3-7-13-11)14-8-10-5-6-12(16)15-10/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16)/t9-,10?/m0/s1
InChIKeyWBNMICGVZFBFPH-RGURZIINSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 43202632
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
CID 103276961

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one (CID 107529769) is 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one is C[C@H](NCC1CCC(=O)N1)c1ccccn1.
What is the InChIKey of 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is WBNMICGVZFBFPH-RGURZIINSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(11-4-2-3-7-13-11)14-8-10-5-6-12(16)15-10/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,16)/t9-,10?/m0/s1.
What are the key properties of 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one?
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).