2-naphthalen-1-ylacetamide;prop-2-enoic acid

C15H15NO3 — CID 174797435

IUPAC2-naphthalen-1-ylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C12H11NO.C3H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-3(4)5/h1-7H,8H2,(H2,13,14);2H,1H2,(H,4,5)
InChIKeyQUBJMWYZCOFQSN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds3

About 2-naphthalen-1-ylacetamide;prop-2-enoic acid

2-naphthalen-1-ylacetamide;prop-2-enoic acid (PubChem CID 174797435) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-naphthalen-1-ylacetamide;prop-2-enoic acid
PubChem CID174797435
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-naphthalen-1-ylacetamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C12H11NO.C3H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-3(4)5/h1-7H,8H2,(H2,13,14);2H,1H2,(H,4,5)
InChIKeyQUBJMWYZCOFQSN-UHFFFAOYSA-N
XLogP2.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-tetracen-1-ylacetamide
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carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
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CID 67744523
2-isoquinolin-5-ylacetamide
CID 68785768
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
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CID 10900926

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylacetamide;prop-2-enoic acid?
The IUPAC name of 2-naphthalen-1-ylacetamide;prop-2-enoic acid (CID 174797435) is 2-naphthalen-1-ylacetamide;prop-2-enoic acid.
What is the SMILES notation for 2-naphthalen-1-ylacetamide;prop-2-enoic acid?
The canonical SMILES for 2-naphthalen-1-ylacetamide;prop-2-enoic acid is C=CC(=O)O.NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylacetamide;prop-2-enoic acid?
The InChIKey is QUBJMWYZCOFQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C3H4O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;1-2-3(4)5/h1-7H,8H2,(H2,13,14);2H,1H2,(H,4,5).
What are the key properties of 2-naphthalen-1-ylacetamide;prop-2-enoic acid?
2-naphthalen-1-ylacetamide;prop-2-enoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylacetamide;prop-2-enoic acid is sourced from PubChem (CID 174797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).