[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone

C11H17NO3 — CID 102648416

IUPAC[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1CCC(C(=O)C2=CCCCO2)O1
InChIInChI=1S/C11H17NO3/c12-7-8-4-5-10(15-8)11(13)9-3-1-2-6-14-9/h3,8,10H,1-2,4-7,12H2
InChIKeyXYKLSBILLHKHMM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648416) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648416
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1CCC(C(=O)C2=CCCCO2)O1
InChIInChI=1S/C11H17NO3/c12-7-8-4-5-10(15-8)11(13)9-3-1-2-6-14-9/h3,8,10H,1-2,4-7,12H2
InChIKeyXYKLSBILLHKHMM-UHFFFAOYSA-N
XLogP0.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648416) is [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone is NCC1CCC(C(=O)C2=CCCCO2)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is XYKLSBILLHKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c12-7-8-4-5-10(15-8)11(13)9-3-1-2-6-14-9/h3,8,10H,1-2,4-7,12H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 211.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).