3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone

C10H15NO2 — CID 131065010

IUPAC3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCC=CO1)N1CCCC1
InChIInChI=1S/C10H15NO2/c12-10(11-6-2-3-7-11)9-5-1-4-8-13-9/h4,8-9H,1-3,5-7H2
InChIKeyJFRNGHKQESXVJH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds1

About 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone

3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 131065010) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone
PubChem CID131065010
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCC=CO1)N1CCCC1
InChIInChI=1S/C10H15NO2/c12-10(11-6-2-3-7-11)9-5-1-4-8-13-9/h4,8-9H,1-3,5-7H2
InChIKeyJFRNGHKQESXVJH-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methoxyhex-5-enoyl)-1,3-oxazolidin-2-one
CID 132047864
N,N-diethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 141178157
3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone
CID 130611473
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130635445
N-methyl-N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130693774
N-ethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130738609
1-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidine-2,4-dione
CID 130847043
N-cyclopropyl-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131067235
(2R)-1-(2-methylpyrrolidin-1-yl)-2-pent-4-enoxypropan-1-one
CID 143960522

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone (CID 131065010) is 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone is O=C(C1CCC=CO1)N1CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is JFRNGHKQESXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(11-6-2-3-7-11)9-5-1-4-8-13-9/h4,8-9H,1-3,5-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone?
3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 181.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 131065010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).