1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone

C18H21NO2 — CID 43474266

IUPAC1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCCN1CCCC1
InChIInChI=1S/C18H21NO2/c1-14(20)16-9-8-15-6-2-3-7-17(15)18(16)21-13-12-19-10-4-5-11-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeySTVWYZULIMQSAL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds5

About 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone

1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone (PubChem CID 43474266) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
PubChem CID43474266
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCCN1CCCC1
InChIInChI=1S/C18H21NO2/c1-14(20)16-9-8-15-6-2-3-7-17(15)18(16)21-13-12-19-10-4-5-11-19/h2-3,6-9H,4-5,10-13H2,1H3
InChIKeySTVWYZULIMQSAL-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromobutoxy)naphthalen-2-yl]ethanone
CID 43475231
1-(1-hexoxynaphthalen-2-yl)ethanone
CID 43474263
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
CID 21228753
1-[1-(3-ethylsulfanylpropoxy)naphthalen-2-yl]ethanone
CID 115659124
1-[1-(2-methylpropoxy)naphthalen-2-yl]ethanone
CID 43388547
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
CID 3021610
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
CID 16736967
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone (CID 43474266) is 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCCN1CCCC1.
What is the InChIKey of 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone?
The InChIKey is STVWYZULIMQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(20)16-9-8-15-6-2-3-7-17(15)18(16)21-13-12-19-10-4-5-11-19/h2-3,6-9H,4-5,10-13H2,1H3.
What are the key properties of 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone?
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone is sourced from PubChem (CID 43474266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).