3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C17H24N2O2 — CID 119145641

IUPAC3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCC(NC(C)C3CC3)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-12(14-5-6-14)18-16-9-10-19(17(16)20)11-13-3-7-15(21-2)8-4-13/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3
InChIKeyMEVUUVRRLGLSIE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds6

About 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 119145641) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID119145641
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCC(NC(C)C3CC3)C2=O)cc1
InChIInChI=1S/C17H24N2O2/c1-12(14-5-6-14)18-16-9-10-19(17(16)20)11-13-3-7-15(21-2)8-4-13/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3
InChIKeyMEVUUVRRLGLSIE-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 119145641) is 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(CN2CCC(NC(C)C3CC3)C2=O)cc1.
What is the InChIKey of 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MEVUUVRRLGLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(14-5-6-14)18-16-9-10-19(17(16)20)11-13-3-7-15(21-2)8-4-13/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3.
What are the key properties of 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 119145641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).