7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide

C15H13NO — CID 44817670

IUPAC7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide
SMILESC#CCNC(=O)c1ccc2ccc(C)cc2c1
InChIInChI=1S/C15H13NO/c1-3-8-16-15(17)13-7-6-12-5-4-11(2)9-14(12)10-13/h1,4-7,9-10H,8H2,2H3,(H,16,17)
InChIKeyOIJKHLJESLMCPW-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.51
Rot. Bonds2

About 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide

7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide (PubChem CID 44817670) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide
PubChem CID44817670
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide
SMILESC#CCNC(=O)c1ccc2ccc(C)cc2c1
InChIInChI=1S/C15H13NO/c1-3-8-16-15(17)13-7-6-12-5-4-11(2)9-14(12)10-13/h1,4-7,9-10H,8H2,2H3,(H,16,17)
InChIKeyOIJKHLJESLMCPW-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide?
The IUPAC name of 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide (CID 44817670) is 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide.
What is the SMILES notation for 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide?
The canonical SMILES for 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide is C#CCNC(=O)c1ccc2ccc(C)cc2c1.
What is the InChIKey of 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide?
The InChIKey is OIJKHLJESLMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-8-16-15(17)13-7-6-12-5-4-11(2)9-14(12)10-13/h1,4-7,9-10H,8H2,2H3,(H,16,17).
What are the key properties of 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide?
7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-prop-2-ynylnaphthalene-2-carboxamide is sourced from PubChem (CID 44817670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).