N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide

C15H17NO2 — CID 146083715

IUPACN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1c(O)ccc2c1CCCC2
InChIInChI=1S/C15H17NO2/c1-2-5-15(18)16-10-13-12-7-4-3-6-11(12)8-9-14(13)17/h8-9,17H,3-4,6-7,10H2,1H3,(H,16,18)
InChIKeyOKPZDJNGJVJGTB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds2

About N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide

N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide (PubChem CID 146083715) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
PubChem CID146083715
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1c(O)ccc2c1CCCC2
InChIInChI=1S/C15H17NO2/c1-2-5-15(18)16-10-13-12-7-4-3-6-11(12)8-9-14(13)17/h8-9,17H,3-4,6-7,10H2,1H3,(H,16,18)
InChIKeyOKPZDJNGJVJGTB-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide?
The IUPAC name of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide (CID 146083715) is N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide?
The canonical SMILES for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide is CC#CC(=O)NCc1c(O)ccc2c1CCCC2.
What is the InChIKey of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide?
The InChIKey is OKPZDJNGJVJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-5-15(18)16-10-13-12-7-4-3-6-11(12)8-9-14(13)17/h8-9,17H,3-4,6-7,10H2,1H3,(H,16,18).
What are the key properties of N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide?
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide has a molecular weight of 243.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide is sourced from PubChem (CID 146083715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).