2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone

C19H25NO3 — CID 110406997

IUPAC2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccc2c(c1)OCCO2)C1CCCC1)N1CCCC1
InChIInChI=1S/C19H25NO3/c21-19(20-9-3-4-10-20)18(14-5-1-2-6-14)15-7-8-16-17(13-15)23-12-11-22-16/h7-8,13-14,18H,1-6,9-12H2
InChIKeyVTJGDRNIWCFJIT-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.35
Rot. Bonds3

About 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone

2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110406997) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110406997
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(C(c1ccc2c(c1)OCCO2)C1CCCC1)N1CCCC1
InChIInChI=1S/C19H25NO3/c21-19(20-9-3-4-10-20)18(14-5-1-2-6-14)15-7-8-16-17(13-15)23-12-11-22-16/h7-8,13-14,18H,1-6,9-12H2
InChIKeyVTJGDRNIWCFJIT-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 171797905
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 160973628
cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55923131
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone (CID 110406997) is 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone is O=C(C(c1ccc2c(c1)OCCO2)C1CCCC1)N1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is VTJGDRNIWCFJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-19(20-9-3-4-10-20)18(14-5-1-2-6-14)15-7-8-16-17(13-15)23-12-11-22-16/h7-8,13-14,18H,1-6,9-12H2.
What are the key properties of 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone?
2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 315.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110406997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).