1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

C18H21NO — CID 82050959

IUPAC1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCCC2)c2ccccc12
InChIInChI=1S/C18H21NO/c1-14-8-9-17(16-7-3-2-6-15(14)16)18(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyQMWARDUDFQXSGW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82050959) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82050959
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCCC2)c2ccccc12
InChIInChI=1S/C18H21NO/c1-14-8-9-17(16-7-3-2-6-15(14)16)18(20)10-13-19-11-4-5-12-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeyQMWARDUDFQXSGW-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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Related Compounds

1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
CID 82050956
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
1-(2-methylphenyl)-3-(1,4-thiazepan-4-yl)propan-1-one
CID 62630561
3-(azepan-1-yl)-1-(8-methoxyquinolin-5-yl)propan-1-one
CID 93193167
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 82050959) is 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCCC2)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QMWARDUDFQXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-8-9-17(16-7-3-2-6-15(14)16)18(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-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(4-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-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82050959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).