1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

C18H21NO — CID 82052523

IUPAC1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc2ccccc2c1C(=O)CCN1CCCC1
InChIInChI=1S/C18H21NO/c1-14-8-9-15-6-2-3-7-16(15)18(14)17(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyWEKQOKKCVSQIOC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82052523) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82052523
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc2ccccc2c1C(=O)CCN1CCCC1
InChIInChI=1S/C18H21NO/c1-14-8-9-15-6-2-3-7-16(15)18(14)17(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyWEKQOKKCVSQIOC-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 82052523) is 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is Cc1ccc2ccccc2c1C(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WEKQOKKCVSQIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-8-9-15-6-2-3-7-16(15)18(14)17(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82052523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).