1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one

C19H23NO — CID 11243002

IUPAC1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
InChIKeyDTNUPBSOODGRKW-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds5

About 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one

1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11243002) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11243002
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3
InChIKeyDTNUPBSOODGRKW-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one (CID 11243002) is 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is DTNUPBSOODGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3.
What are the key properties of 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one?
1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11243002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).