(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

C15H15NO2 — CID 5303039

IUPAC(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCCC1
InChIInChI=1S/C15H15NO2/c17-14-10-12-6-2-1-5-11(12)9-13(14)15(18)16-7-3-4-8-16/h1-2,5-6,9-10,17H,3-4,7-8H2
InChIKeyMVVCPEOQKNHPJR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds1

About (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone

(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 5303039) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID5303039
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCCC1
InChIInChI=1S/C15H15NO2/c17-14-10-12-6-2-1-5-11(12)9-13(14)15(18)16-7-3-4-8-16/h1-2,5-6,9-10,17H,3-4,7-8H2
InChIKeyMVVCPEOQKNHPJR-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone (CID 5303039) is (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2ccccc2cc1O)N1CCCC1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is MVVCPEOQKNHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-10-12-6-2-1-5-11(12)9-13(14)15(18)16-7-3-4-8-16/h1-2,5-6,9-10,17H,3-4,7-8H2.
What are the key properties of (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone?
(3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 241.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5303039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).