4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

C11H14ClN3O — CID 168660327

IUPAC4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClN3O/c12-10-2-1-8(5-14-10)6-15-7-9(4-13)3-11(15)16/h1-2,5,9H,3-4,6-7,13H2
InChIKeyXTRZQIQAKYZCNC-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.04
Rot. Bonds3

About 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 168660327) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID168660327
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClN3O/c12-10-2-1-8(5-14-10)6-15-7-9(4-13)3-11(15)16/h1-2,5,9H,3-4,6-7,13H2
InChIKeyXTRZQIQAKYZCNC-UHFFFAOYSA-N
XLogP1.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
1-[(6-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709493
4-(aminomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168660316
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137
4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 178122073
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
CID 168659174
[5-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673832
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 122226815
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (CID 168660327) is 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is NCC1CC(=O)N(Cc2ccc(Cl)nc2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is XTRZQIQAKYZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-2-1-8(5-14-10)6-15-7-9(4-13)3-11(15)16/h1-2,5,9H,3-4,6-7,13H2.
What are the key properties of 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168660327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).