4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol

C16H17NO — CID 11658762

IUPAC4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C16H17NO/c1-12(18)4-5-13-6-7-15-11-16(17(2)3)9-8-14(15)10-13/h6-12,18H,1-3H3
InChIKeyIDYUPGHFNRLIQM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.64
Rot. Bonds1

About 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol

4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol (PubChem CID 11658762) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol
PubChem CID11658762
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc2cc(N(C)C)ccc2c1
InChIInChI=1S/C16H17NO/c1-12(18)4-5-13-6-7-15-11-16(17(2)3)9-8-14(15)10-13/h6-12,18H,1-3H3
InChIKeyIDYUPGHFNRLIQM-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol?
The IUPAC name of 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol (CID 11658762) is 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol.
What is the SMILES notation for 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol?
The canonical SMILES for 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol is CC(O)C#Cc1ccc2cc(N(C)C)ccc2c1.
What is the InChIKey of 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol?
The InChIKey is IDYUPGHFNRLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(18)4-5-13-6-7-15-11-16(17(2)3)9-8-14(15)10-13/h6-12,18H,1-3H3.
What are the key properties of 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol?
4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol has a molecular weight of 239.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)naphthalen-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 11658762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).