4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one

C9H17ClN2O — CID 168507131

IUPAC4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCCN1CC(CCl)CC1=O
InChIInChI=1S/C9H17ClN2O/c1-2-11-3-4-12-7-8(6-10)5-9(12)13/h8,11H,2-7H2,1H3
InChIKeyOFZRNMJHFRETNI-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.68
Rot. Bonds5

About 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one

4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one (PubChem CID 168507131) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
PubChem CID168507131
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
SMILESCCNCCN1CC(CCl)CC1=O
InChIInChI=1S/C9H17ClN2O/c1-2-11-3-4-12-7-8(6-10)5-9(12)13/h8,11H,2-7H2,1H3
InChIKeyOFZRNMJHFRETNI-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
4-(chloromethyl)-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168508263
4-(chloromethyl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507284
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
4-(chloromethyl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 168507094

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one (CID 168507131) is 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one is CCNCCN1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is OFZRNMJHFRETNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-2-11-3-4-12-7-8(6-10)5-9(12)13/h8,11H,2-7H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 204.70 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168507131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).