4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one

C16H18N2O — CID 168659858

IUPAC4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
SMILESCc1ccc2ccccc2c1N1CC(CN)CC1=O
InChIInChI=1S/C16H18N2O/c1-11-6-7-13-4-2-3-5-14(13)16(11)18-10-12(9-17)8-15(18)19/h2-7,12H,8-10,17H2,1H3
InChIKeyWEKHVQAZSPHSDA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds2

About 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 168659858) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
PubChem CID168659858
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
SMILESCc1ccc2ccccc2c1N1CC(CN)CC1=O
InChIInChI=1S/C16H18N2O/c1-11-6-7-13-4-2-3-5-14(13)16(11)18-10-12(9-17)8-15(18)19/h2-7,12H,8-10,17H2,1H3
InChIKeyWEKHVQAZSPHSDA-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S-[1-(2-methylnaphthalen-1-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705590
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168658813
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one (CID 168659858) is 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one is Cc1ccc2ccccc2c1N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is WEKHVQAZSPHSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-7-13-4-2-3-5-14(13)16(11)18-10-12(9-17)8-15(18)19/h2-7,12H,8-10,17H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).