1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one

C17H22N2O — CID 43362855

IUPAC1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H22N2O/c20-16-5-2-10-19(16)15-4-1-3-14(11-15)18-17(12-6-7-12)13-8-9-13/h1,3-4,11-13,17-18H,2,5-10H2
InChIKeyANHJDKLMLCANFW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds5

About 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one

1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 43362855) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID43362855
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H22N2O/c20-16-5-2-10-19(16)15-4-1-3-14(11-15)18-17(12-6-7-12)13-8-9-13/h1,3-4,11-13,17-18H,2,5-10H2
InChIKeyANHJDKLMLCANFW-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-[1-(1-benzylpyrrolidin-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 75451908
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 116677234
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 64775979
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one (CID 43362855) is 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is ANHJDKLMLCANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16-5-2-10-19(16)15-4-1-3-14(11-15)18-17(12-6-7-12)13-8-9-13/h1,3-4,11-13,17-18H,2,5-10H2.
What are the key properties of 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one?
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43362855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).