(3H-cyclopenta[a]naphthalen-1-ylamino) acetate

C15H13NO2 — CID 123743902

IUPAC(3H-cyclopenta[a]naphthalen-1-ylamino) acetate
SMILESCC(=O)ONC1=CCc2ccc3ccccc3c21
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-14-9-8-12-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9,16H,8H2,1H3
InChIKeyKSXTZYOIJFHHBX-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.80
Rot. Bonds2

About (3H-cyclopenta[a]naphthalen-1-ylamino) acetate

(3H-cyclopenta[a]naphthalen-1-ylamino) acetate (PubChem CID 123743902) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3H-cyclopenta[a]naphthalen-1-ylamino) acetate.

Molecular Properties

Compound Name(3H-cyclopenta[a]naphthalen-1-ylamino) acetate
PubChem CID123743902
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(3H-cyclopenta[a]naphthalen-1-ylamino) acetate
SMILESCC(=O)ONC1=CCc2ccc3ccccc3c21
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-14-9-8-12-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9,16H,8H2,1H3
InChIKeyKSXTZYOIJFHHBX-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3H-cyclopenta[a]naphthalen-1-ylamino) acetate?
The IUPAC name of (3H-cyclopenta[a]naphthalen-1-ylamino) acetate (CID 123743902) is (3H-cyclopenta[a]naphthalen-1-ylamino) acetate.
What is the SMILES notation for (3H-cyclopenta[a]naphthalen-1-ylamino) acetate?
The canonical SMILES for (3H-cyclopenta[a]naphthalen-1-ylamino) acetate is CC(=O)ONC1=CCc2ccc3ccccc3c21.
What is the InChIKey of (3H-cyclopenta[a]naphthalen-1-ylamino) acetate?
The InChIKey is KSXTZYOIJFHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(17)18-16-14-9-8-12-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9,16H,8H2,1H3.
What are the key properties of (3H-cyclopenta[a]naphthalen-1-ylamino) acetate?
(3H-cyclopenta[a]naphthalen-1-ylamino) acetate has a molecular weight of 239.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3H-cyclopenta[a]naphthalen-1-ylamino) acetate is sourced from PubChem (CID 123743902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).