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

C15H13NO2 — CID 123175122

IUPAC(1H-cyclopenta[a]naphthalen-3-ylamino) acetate
SMILESCC(=O)ONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-15-9-8-13-12-5-3-2-4-11(12)6-7-14(13)15/h2-7,9,16H,8H2,1H3
InChIKeyMAJAPLLMMCDSQK-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.80
Rot. Bonds2

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

(1H-cyclopenta[a]naphthalen-3-ylamino) acetate (PubChem CID 123175122) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1H-cyclopenta[a]naphthalen-3-ylamino) acetate.

Molecular Properties

Compound Name(1H-cyclopenta[a]naphthalen-3-ylamino) acetate
PubChem CID123175122
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(1H-cyclopenta[a]naphthalen-3-ylamino) acetate
SMILESCC(=O)ONC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C15H13NO2/c1-10(17)18-16-15-9-8-13-12-5-3-2-4-11(12)6-7-14(13)15/h2-7,9,16H,8H2,1H3
InChIKeyMAJAPLLMMCDSQK-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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Related Compounds

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CID 139118944
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CID 100999923
actinium;[(Z)-1-naphthalen-2-ylprop-1-enyl]azanide
CID 21343655
3-naphthalen-1-yl-2H-oxazine
CID 54209924
2-(1-Naphthalen-2-ylethenylamino)oxyethanol
CID 57035199
N-methoxy-1-naphthalen-2-ylethenamine
CID 57047007
(3H-inden-1-ylamino) acetate
CID 57202391
3-(Naphthalen-1-yl)-1,2-oxazol-5-ol
CID 75359328
3-(Naphthalen-2-yl)-1,2-oxazol-5-ol
CID 75359329
[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate
CID 88545868
N-ethoxy-2-methoxy-1-naphthalen-2-ylethenamine
CID 91032557
3-(naphthalen-1-ylmethyl)-2H-1,2-oxazol-5-one
CID 95656365

Frequently Asked Questions

What is the IUPAC name of (1H-cyclopenta[a]naphthalen-3-ylamino) acetate?
The IUPAC name of (1H-cyclopenta[a]naphthalen-3-ylamino) acetate (CID 123175122) is (1H-cyclopenta[a]naphthalen-3-ylamino) acetate.
What is the SMILES notation for (1H-cyclopenta[a]naphthalen-3-ylamino) acetate?
The canonical SMILES for (1H-cyclopenta[a]naphthalen-3-ylamino) acetate is CC(=O)ONC1=CCc2c1ccc1ccccc21.
What is the InChIKey of (1H-cyclopenta[a]naphthalen-3-ylamino) acetate?
The InChIKey is MAJAPLLMMCDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(17)18-16-15-9-8-13-12-5-3-2-4-11(12)6-7-14(13)15/h2-7,9,16H,8H2,1H3.
What are the key properties of (1H-cyclopenta[a]naphthalen-3-ylamino) acetate?
(1H-cyclopenta[a]naphthalen-3-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 (1H-cyclopenta[a]naphthalen-3-ylamino) acetate is sourced from PubChem (CID 123175122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).