1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one

C18H22N2O — CID 43780085

IUPAC1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C18H22N2O/c21-18-2-1-9-20(18)17-7-5-16(6-8-17)19-12-15-11-13-3-4-14(15)10-13/h3-8,13-15,19H,1-2,9-12H2
InChIKeyMMZOYHZAVDWUJV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one

1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 43780085) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID43780085
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C18H22N2O/c21-18-2-1-9-20(18)17-7-5-16(6-8-17)19-12-15-11-13-3-4-14(15)10-13/h3-8,13-15,19H,1-2,9-12H2
InChIKeyMMZOYHZAVDWUJV-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 122158633
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
CID 43769752
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-[[4-(tert-butylsulfanylamino)cyclohexyl]methylamino]phenyl]pyrrolidin-2-one
CID 59230249
1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
(1R,2S,3R,4R)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98336597
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one (CID 43780085) is 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCC2CC3C=CC2C3)cc1.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is MMZOYHZAVDWUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-2-1-9-20(18)17-7-5-16(6-8-17)19-12-15-11-13-3-4-14(15)10-13/h3-8,13-15,19H,1-2,9-12H2.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one?
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 282.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43780085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).