3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone

C11H17NO2 — CID 102648349

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCNC1
InChIInChI=1S/C11H17NO2/c1-11(5-6-12-8-11)10(13)9-4-2-3-7-14-9/h4,12H,2-3,5-8H2,1H3
InChIKeyVZFJLLHAXYQNLK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 102648349) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
PubChem CID102648349
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCNC1
InChIInChI=1S/C11H17NO2/c1-11(5-6-12-8-11)10(13)9-4-2-3-7-14-9/h4,12H,2-3,5-8H2,1H3
InChIKeyVZFJLLHAXYQNLK-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
2,3-dihydrofuran-5-yl-(1-methylcyclohexyl)methanone
CID 106829749
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
CID 102647051
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone
CID 116570107
cyclopenten-1-yl(2,3-dihydrofuran-5-yl)methanone
CID 103448067
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 130646168

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone (CID 102648349) is 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)C2=CCCCO2)CCNC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is VZFJLLHAXYQNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(5-6-12-8-11)10(13)9-4-2-3-7-14-9/h4,12H,2-3,5-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 195.26 g/mol, XLogP of 1.25, 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-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 102648349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).