methyl 3-naphthalen-2-ylprop-2-ynoate

C14H10O2 — CID 816856

IUPACmethyl 3-naphthalen-2-ylprop-2-ynoate
SMILESCOC(=O)C#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H10O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10H,1H3
InChIKeyRSDUVDKHUSYMJW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.36
Rot. Bonds

About methyl 3-naphthalen-2-ylprop-2-ynoate

methyl 3-naphthalen-2-ylprop-2-ynoate (PubChem CID 816856) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-naphthalen-2-ylprop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-naphthalen-2-ylprop-2-ynoate
PubChem CID816856
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Namemethyl 3-naphthalen-2-ylprop-2-ynoate
SMILESCOC(=O)C#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H10O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10H,1H3
InChIKeyRSDUVDKHUSYMJW-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-naphthalen-2-ylprop-2-ynoate?
The IUPAC name of methyl 3-naphthalen-2-ylprop-2-ynoate (CID 816856) is methyl 3-naphthalen-2-ylprop-2-ynoate.
What is the SMILES notation for methyl 3-naphthalen-2-ylprop-2-ynoate?
The canonical SMILES for methyl 3-naphthalen-2-ylprop-2-ynoate is COC(=O)C#Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 3-naphthalen-2-ylprop-2-ynoate?
The InChIKey is RSDUVDKHUSYMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h2-6,8,10H,1H3.
What are the key properties of methyl 3-naphthalen-2-ylprop-2-ynoate?
methyl 3-naphthalen-2-ylprop-2-ynoate has a molecular weight of 210.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-naphthalen-2-ylprop-2-ynoate is sourced from PubChem (CID 816856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).