2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde

C15H15NO2 — CID 88947036

IUPAC2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC3)ccc12
InChIInChI=1S/C15H15NO2/c17-10-14-13-5-4-12(16-7-1-2-8-16)9-11(13)3-6-15(14)18/h3-6,9-10,18H,1-2,7-8H2
InChIKeyYIQXLAVGCYTCGX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.96
Rot. Bonds2

About 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde

2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde (PubChem CID 88947036) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
PubChem CID88947036
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCCC3)ccc12
InChIInChI=1S/C15H15NO2/c17-10-14-13-5-4-12(16-7-1-2-8-16)9-11(13)3-6-15(14)18/h3-6,9-10,18H,1-2,7-8H2
InChIKeyYIQXLAVGCYTCGX-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde (CID 88947036) is 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCCC3)ccc12.
What is the InChIKey of 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
The InChIKey is YIQXLAVGCYTCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-10-14-13-5-4-12(16-7-1-2-8-16)9-11(13)3-6-15(14)18/h3-6,9-10,18H,1-2,7-8H2.
What are the key properties of 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde?
2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-pyrrolidin-1-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 88947036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).