1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one

C18H19NO2 — CID 79538788

IUPAC1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO2/c1-13(20)11-17-7-4-10-19(17)18(21)16-9-8-14-5-2-3-6-15(14)12-16/h2-3,5-6,8-9,12,17H,4,7,10-11H2,1H3
InChIKeyPKLCBYQEZZZUKA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.42
Rot. Bonds3

About 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79538788) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79538788
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO2/c1-13(20)11-17-7-4-10-19(17)18(21)16-9-8-14-5-2-3-6-15(14)12-16/h2-3,5-6,8-9,12,17H,4,7,10-11H2,1H3
InChIKeyPKLCBYQEZZZUKA-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
1-[1-(4-bromo-3-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540685
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
1-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541105

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79538788) is 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is PKLCBYQEZZZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(20)11-17-7-4-10-19(17)18(21)16-9-8-14-5-2-3-6-15(14)12-16/h2-3,5-6,8-9,12,17H,4,7,10-11H2,1H3.
What are the key properties of 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79538788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).