1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone

C17H19NO2 — CID 116560533

IUPAC1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
SMILESCOC1CNC(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO2/c1-20-14-10-16(18-11-14)17(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14,16,18H,9-11H2,1H3
InChIKeyYRTMWAKNFRYKGS-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.33
Rot. Bonds4

About 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone

1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone (PubChem CID 116560533) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
PubChem CID116560533
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
SMILESCOC1CNC(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO2/c1-20-14-10-16(18-11-14)17(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14,16,18H,9-11H2,1H3
InChIKeyYRTMWAKNFRYKGS-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone (CID 116560533) is 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone is COC1CNC(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
The InChIKey is YRTMWAKNFRYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-14-10-16(18-11-14)17(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14,16,18H,9-11H2,1H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone?
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone has a molecular weight of 269.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 116560533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).