1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone

C19H21NO3 — CID 167777037

IUPAC1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(O)(C2CC2)C1
InChIInChI=1S/C19H21NO3/c21-18(20-10-9-19(22,13-20)16-6-7-16)12-23-17-8-5-14-3-1-2-4-15(14)11-17/h1-5,8,11,16,22H,6-7,9-10,12-13H2
InChIKeyHEKDAZYIVMJVGT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone

1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 167777037) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID167777037
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCC(O)(C2CC2)C1
InChIInChI=1S/C19H21NO3/c21-18(20-10-9-19(22,13-20)16-6-7-16)12-23-17-8-5-14-3-1-2-4-15(14)11-17/h1-5,8,11,16,22H,6-7,9-10,12-13H2
InChIKeyHEKDAZYIVMJVGT-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-[8-(2-naphthalen-2-yloxyacetyl)-1,8-diazaspiro[3.5]nonan-1-yl]-1-pyrrolidin-1-ylethanone
CID 131678955
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone (CID 167777037) is 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is HEKDAZYIVMJVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(20-10-9-19(22,13-20)16-6-7-16)12-23-17-8-5-14-3-1-2-4-15(14)11-17/h1-5,8,11,16,22H,6-7,9-10,12-13H2.
What are the key properties of 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone?
1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 311.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 167777037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).