1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

C16H21NO2 — CID 57008268

IUPAC1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C16H21NO2/c1-12(10-17-7-2-3-8-17)16(18)15-5-4-13-11-19-9-6-14(13)15/h6,9,11-12H,2-5,7-8,10H2,1H3
InChIKeyLVTRHLHUHDQKFE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds4

About 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one

1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 57008268) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID57008268
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(CN1CCCC1)C(=O)C1=C2C=COC=C2CC1
InChIInChI=1S/C16H21NO2/c1-12(10-17-7-2-3-8-17)16(18)15-5-4-13-11-19-9-6-14(13)15/h6,9,11-12H,2-5,7-8,10H2,1H3
InChIKeyLVTRHLHUHDQKFE-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one (CID 57008268) is 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is CC(CN1CCCC1)C(=O)C1=C2C=COC=C2CC1.
What is the InChIKey of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LVTRHLHUHDQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(10-17-7-2-3-8-17)16(18)15-5-4-13-11-19-9-6-14(13)15/h6,9,11-12H,2-5,7-8,10H2,1H3.
What are the key properties of 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one?
1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydrocyclopenta[c]pyran-5-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 57008268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).