1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone

C18H19NO — CID 129215636

IUPAC1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone
SMILESCC(=O)C1=NCC(CCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO/c1-13(20)18-11-15(12-19-18)7-6-14-8-9-16-4-2-3-5-17(16)10-14/h2-5,8-10,15H,6-7,11-12H2,1H3
InChIKeyCBLWUJCHCACLJF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.82
Rot. Bonds4

About 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone

1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone (PubChem CID 129215636) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone
PubChem CID129215636
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone
SMILESCC(=O)C1=NCC(CCc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H19NO/c1-13(20)18-11-15(12-19-18)7-6-14-8-9-16-4-2-3-5-17(16)10-14/h2-5,8-10,15H,6-7,11-12H2,1H3
InChIKeyCBLWUJCHCACLJF-UHFFFAOYSA-N
XLogP3.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273
2-[3-(4-methylcyclohexyl)propyl]naphthalene
CID 59545635
N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
CID 10704370
S-[1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706074
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone (CID 129215636) is 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone is CC(=O)C1=NCC(CCc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone?
The InChIKey is CBLWUJCHCACLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13(20)18-11-15(12-19-18)7-6-14-8-9-16-4-2-3-5-17(16)10-14/h2-5,8-10,15H,6-7,11-12H2,1H3.
What are the key properties of 1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone?
1-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone has a molecular weight of 265.36 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-[3-(2-naphthalen-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-yl]ethanone is sourced from PubChem (CID 129215636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).