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

C10H15NO2 — CID 130611473

IUPAC3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCC=CO2)C1
InChIInChI=1S/C10H15NO2/c1-8-6-11(7-8)10(12)9-4-2-3-5-13-9/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyAXYOLCDXCBNFSB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.16
Rot. Bonds1

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

3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone (PubChem CID 130611473) 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-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone
PubChem CID130611473
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCC=CO2)C1
InChIInChI=1S/C10H15NO2/c1-8-6-11(7-8)10(12)9-4-2-3-5-13-9/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyAXYOLCDXCBNFSB-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 141178157
(3S,4R)-3-methoxy-4-prop-1-en-2-yl-1-prop-2-enylazetidin-2-one
CID 11550100
N-methyl-N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130693774
3,4-dihydro-2H-pyran-2-yl(pyrrolidin-1-yl)methanone
CID 131065010
N-cyclopropyl-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131067235

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone (CID 130611473) is 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)C2CCC=CO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone?
The InChIKey is AXYOLCDXCBNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-6-11(7-8)10(12)9-4-2-3-5-13-9/h3,5,8-9H,2,4,6-7H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone?
3,4-dihydro-2H-pyran-2-yl-(3-methylazetidin-1-yl)methanone has a molecular weight of 181.23 g/mol, XLogP of 1.16, 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-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 130611473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).