(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone

C15H16N2O — CID 59534009

IUPAC(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H16N2O/c16-14-12-6-2-1-5-11(12)7-8-13(14)15(18)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10,16H2
InChIKeyFKPOFPSUEPTJCZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.66
Rot. Bonds1

About (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone

(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 59534009) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID59534009
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCC2)ccc2ccccc12
InChIInChI=1S/C15H16N2O/c16-14-12-6-2-1-5-11(12)7-8-13(14)15(18)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10,16H2
InChIKeyFKPOFPSUEPTJCZ-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-aminonaphthalene-2-carbonyl iodide
CID 89199077
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879

Frequently Asked Questions

What is the IUPAC name of (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone (CID 59534009) is (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone is Nc1c(C(=O)N2CCCC2)ccc2ccccc12.
What is the InChIKey of (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FKPOFPSUEPTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-14-12-6-2-1-5-11(12)7-8-13(14)15(18)17-9-3-4-10-17/h1-2,5-8H,3-4,9-10,16H2.
What are the key properties of (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 240.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59534009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).