4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one

C15H17N3O — CID 168661060

IUPAC4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc3cccc(N)c23)C1
InChIInChI=1S/C15H17N3O/c16-8-10-7-14(19)18(9-10)13-6-2-4-11-3-1-5-12(17)15(11)13/h1-6,10H,7-9,16-17H2
InChIKeyOUQYMKCPYXGJQP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.73
Rot. Bonds2

About 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 168661060) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
PubChem CID168661060
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc3cccc(N)c23)C1
InChIInChI=1S/C15H17N3O/c16-8-10-7-14(19)18(9-10)13-6-2-4-11-3-1-5-12(17)15(11)13/h1-6,10H,7-9,16-17H2
InChIKeyOUQYMKCPYXGJQP-UHFFFAOYSA-N
XLogP1.73
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168661300
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
4-(aminomethyl)-1-(1-methylindazol-4-yl)pyrrolidin-2-one
CID 168660105
1-(2-amino-6-chloro-3-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660638
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
[1-(8-chloronaphthalen-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677454
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one (CID 168661060) is 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2cccc3cccc(N)c23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is OUQYMKCPYXGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-8-10-7-14(19)18(9-10)13-6-2-4-11-3-1-5-12(17)15(11)13/h1-6,10H,7-9,16-17H2.
What are the key properties of 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).