8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one

C14H17NO — CID 105422231

IUPAC8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cccc(N3CCCC3)c21
InChIInChI=1S/C14H17NO/c16-13-8-4-6-11-5-3-7-12(14(11)13)15-9-1-2-10-15/h3,5,7H,1-2,4,6,8-10H2
InChIKeyQBQIUDYFPJQEDQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.81
Rot. Bonds1

About 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one

8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 105422231) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID105422231
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cccc(N3CCCC3)c21
InChIInChI=1S/C14H17NO/c16-13-8-4-6-11-5-3-7-12(14(11)13)15-9-1-2-10-15/h3,5,7H,1-2,4,6,8-10H2
InChIKeyQBQIUDYFPJQEDQ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one (CID 105422231) is 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cccc(N3CCCC3)c21.
What is the InChIKey of 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QBQIUDYFPJQEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-13-8-4-6-11-5-3-7-12(14(11)13)15-9-1-2-10-15/h3,5,7H,1-2,4,6,8-10H2.
What are the key properties of 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one?
8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 105422231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).