4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one

C16H19ClN2O2 — CID 168507488

IUPAC4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(CCN3CC(CCl)CC3=O)c2c1
InChIInChI=1S/C16H19ClN2O2/c1-21-13-2-3-15-14(7-13)12(9-18-15)4-5-19-10-11(8-17)6-16(19)20/h2-3,7,9,11,18H,4-6,8,10H2,1H3
InChIKeyKTFUDPFOCXXPTM-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.81
Rot. Bonds5

About 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one

4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 168507488) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID168507488
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(CCN3CC(CCl)CC3=O)c2c1
InChIInChI=1S/C16H19ClN2O2/c1-21-13-2-3-15-14(7-13)12(9-18-15)4-5-19-10-11(8-17)6-16(19)20/h2-3,7,9,11,18H,4-6,8,10H2,1H3
InChIKeyKTFUDPFOCXXPTM-UHFFFAOYSA-N
XLogP2.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 17204443
4-(chloromethyl)-1-[2-(2,3-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168507526
(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29066813
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
ethyl 2-[(4R,5R)-5-ethyl-1-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidin-4-yl]acetate
CID 14414969
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one (CID 168507488) is 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one is COc1ccc2[nH]cc(CCN3CC(CCl)CC3=O)c2c1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is KTFUDPFOCXXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-21-13-2-3-15-14(7-13)12(9-18-15)4-5-19-10-11(8-17)6-16(19)20/h2-3,7,9,11,18H,4-6,8,10H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.81, 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-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168507488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).