1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one

C13H17ClN2O — CID 54973272

IUPAC1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C13H17ClN2O/c1-3-15-11-6-7-16(13(11)17)12-5-4-9(2)8-10(12)14/h4-5,8,11,15H,3,6-7H2,1-2H3
InChIKeyULRFRSKBKVYGBO-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one

1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one (PubChem CID 54973272) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
PubChem CID54973272
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2ccc(C)cc2Cl)C1=O
InChIInChI=1S/C13H17ClN2O/c1-3-15-11-6-7-16(13(11)17)12-5-4-9(2)8-10(12)14/h4-5,8,11,15H,3,6-7H2,1-2H3
InChIKeyULRFRSKBKVYGBO-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one (CID 54973272) is 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one is CCNC1CCN(c2ccc(C)cc2Cl)C1=O.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is ULRFRSKBKVYGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-15-11-6-7-16(13(11)17)12-5-4-9(2)8-10(12)14/h4-5,8,11,15H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one?
1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).