1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone

C19H25NO2 — CID 67518479

IUPAC1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cccc3c2C=CCC3)CN1C(C)C
InChIInChI=1S/C19H25NO2/c1-13(2)20-12-16(11-18(20)14(3)21)22-19-10-6-8-15-7-4-5-9-17(15)19/h5-6,8-10,13,16,18H,4,7,11-12H2,1-3H3
InChIKeySELVXMHHIWVWHC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone

1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 67518479) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone
PubChem CID67518479
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CC(Oc2cccc3c2C=CCC3)CN1C(C)C
InChIInChI=1S/C19H25NO2/c1-13(2)20-12-16(11-18(20)14(3)21)22-19-10-6-8-15-7-4-5-9-17(15)19/h5-6,8-10,13,16,18H,4,7,11-12H2,1-3H3
InChIKeySELVXMHHIWVWHC-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone (CID 67518479) is 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone is CC(=O)C1CC(Oc2cccc3c2C=CCC3)CN1C(C)C.
What is the InChIKey of 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The InChIKey is SELVXMHHIWVWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(2)20-12-16(11-18(20)14(3)21)22-19-10-6-8-15-7-4-5-9-17(15)19/h5-6,8-10,13,16,18H,4,7,11-12H2,1-3H3.
What are the key properties of 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone has a molecular weight of 299.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dihydronaphthalen-1-yloxy)-1-propan-2-ylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 67518479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).