3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C12H19NO3 — CID 110023452

IUPAC3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO3/c1-9(14)10-5-6-13(8-10)12(15)11-4-2-3-7-16-11/h4,9-10,14H,2-3,5-8H2,1H3
InChIKeyHPPRLCYVXXXQEB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.91
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 110023452) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID110023452
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO3/c1-9(14)10-5-6-13(8-10)12(15)11-4-2-3-7-16-11/h4,9-10,14H,2-3,5-8H2,1H3
InChIKeyHPPRLCYVXXXQEB-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329157
2-{[(3R*,4R*)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70749655
3,4-dihydro-2H-pyran-6-yl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 71924957
2-{[3-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 91767875
3,4-dihydro-2H-pyran-6-yl-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100934
3,4-dihydro-2H-pyran-6-yl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100935
2-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methylpyran-4-one
CID 100033507
2-[(3S)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methylpyran-4-one
CID 100033509
N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 100909122
3,4-dihydro-2H-pyran-6-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 109873412
3,4-dihydro-2H-pyran-6-yl-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 109907545
3,4-dihydro-2H-pyran-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 111464418

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 110023452) is 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HPPRLCYVXXXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(14)10-5-6-13(8-10)12(15)11-4-2-3-7-16-11/h4,9-10,14H,2-3,5-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 225.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110023452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).