2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one

C19H23NO — CID 79108436

IUPAC2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C19H23NO/c1-14(2)19(21)17-10-11-20(13-17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9-11,13-14,16H,5,7-8,12H2,1-2H3
InChIKeyWCLSJFGIPIGSIG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.45
Rot. Bonds4

About 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one

2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one (PubChem CID 79108436) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
PubChem CID79108436
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
SMILESCC(C)C(=O)c1ccn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C19H23NO/c1-14(2)19(21)17-10-11-20(13-17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9-11,13-14,16H,5,7-8,12H2,1-2H3
InChIKeyWCLSJFGIPIGSIG-UHFFFAOYSA-N
XLogP4.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one (CID 79108436) is 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one is CC(C)C(=O)c1ccn(CC2CCCc3ccccc32)c1.
What is the InChIKey of 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one?
The InChIKey is WCLSJFGIPIGSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)19(21)17-10-11-20(13-17)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-4,6,9-11,13-14,16H,5,7-8,12H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one?
2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79108436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).