1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride

C18H22ClNO3 — CID 70553690

IUPAC1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCOc1ccc(C(=O)CN2CCCC2)c2c(OC)cccc12.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-21-16-9-8-13(15(20)12-19-10-3-4-11-19)18-14(16)6-5-7-17(18)22-2;/h5-9H,3-4,10-12H2,1-2H3;1H
InChIKeyFEHDUCCUQDHSEP-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.56
Rot. Bonds5

About 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride

1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 70553690) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID70553690
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCOc1ccc(C(=O)CN2CCCC2)c2c(OC)cccc12.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-21-16-9-8-13(15(20)12-19-10-3-4-11-19)18-14(16)6-5-7-17(18)22-2;/h5-9H,3-4,10-12H2,1-2H3;1H
InChIKeyFEHDUCCUQDHSEP-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82052295
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CID 93191468
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
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1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
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1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
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2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
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CID 8901770

Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride (CID 70553690) is 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride is COc1ccc(C(=O)CN2CCCC2)c2c(OC)cccc12.Cl.
What is the InChIKey of 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is FEHDUCCUQDHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-21-16-9-8-13(15(20)12-19-10-3-4-11-19)18-14(16)6-5-7-17(18)22-2;/h5-9H,3-4,10-12H2,1-2H3;1H.
What are the key properties of 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride?
1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 70553690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).