4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one

C17H16N2O2 — CID 168660701

IUPAC4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C17H16N2O2/c18-9-11-7-17(20)19(10-11)12-5-6-16-14(8-12)13-3-1-2-4-15(13)21-16/h1-6,8,11H,7,9-10,18H2
InChIKeyWXMFKCCUOASFQK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.90
Rot. Bonds2

About 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one

4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one (PubChem CID 168660701) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
PubChem CID168660701
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C17H16N2O2/c18-9-11-7-17(20)19(10-11)12-5-6-16-14(8-12)13-3-1-2-4-15(13)21-16/h1-6,8,11H,7,9-10,18H2
InChIKeyWXMFKCCUOASFQK-UHFFFAOYSA-N
XLogP2.90
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956
1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
CID 168502232
4-(aminomethyl)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidin-2-one
CID 168659228
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
CID 168660692
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104
4-(aminomethyl)-1-(3-ethynylphenyl)pyrrolidin-2-one
CID 168659047
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]naphthalene-2-carboxylic acid
CID 168661200

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one (CID 168660701) is 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one is NCC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one?
The InChIKey is WXMFKCCUOASFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-9-11-7-17(20)19(10-11)12-5-6-16-14(8-12)13-3-1-2-4-15(13)21-16/h1-6,8,11H,7,9-10,18H2.
What are the key properties of 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one?
4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one is sourced from PubChem (CID 168660701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).