1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one

C18H17NO — CID 163213484

IUPAC1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one
SMILESCn1cccc1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C18H17NO/c1-19-12-4-7-17(19)18(20)11-9-14-8-10-15-5-2-3-6-16(15)13-14/h2-8,10,12-13H,9,11H2,1H3
InChIKeyKXLBGWPYAZIKKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.99
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one

1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one (PubChem CID 163213484) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one
PubChem CID163213484
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one
SMILESCn1cccc1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C18H17NO/c1-19-12-4-7-17(19)18(20)11-9-14-8-10-15-5-2-3-6-16(15)13-14/h2-8,10,12-13H,9,11H2,1H3
InChIKeyKXLBGWPYAZIKKY-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylpyrrol-2-yl)-3-thiophen-3-ylpropan-1-one
CID 163213463
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
4-diazo-1,7-dinaphthalen-2-ylheptane-3,5-dione
CID 54393255
10-naphthalen-2-yldecanoic acid
CID 21478009
[2-(1-methylpyrrol-2-yl)-2-oxoethyl]phosphonic acid
CID 161197491
3-naphthalen-2-ylpropanethioamide;hydrobromide
CID 159191569
N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
N-methyl-3-naphthalen-2-yl-N-(1-phenylethyl)propanamide
CID 60521214
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one (CID 163213484) is 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one is Cn1cccc1C(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one?
The InChIKey is KXLBGWPYAZIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-19-12-4-7-17(19)18(20)11-9-14-8-10-15-5-2-3-6-16(15)13-14/h2-8,10,12-13H,9,11H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one?
1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 163213484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).