1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one

C14H20N2O — CID 43679619

IUPAC1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
SMILESCC(C)CNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-11(2)10-15-12-5-7-13(8-6-12)16-9-3-4-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyDBZIZKXZUQMEPO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one

1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one (PubChem CID 43679619) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
PubChem CID43679619
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
SMILESCC(C)CNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C14H20N2O/c1-11(2)10-15-12-5-7-13(8-6-12)16-9-3-4-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyDBZIZKXZUQMEPO-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
CID 168594537
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69358703
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one (CID 43679619) is 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one is CC(C)CNc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one?
The InChIKey is DBZIZKXZUQMEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)10-15-12-5-7-13(8-6-12)16-9-3-4-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one?
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43679619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).