[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone

C10H15NO3 — CID 102652540

IUPAC[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone
SMILESNCC1CCC(C(=O)C2=CCCO2)O1
InChIInChI=1S/C10H15NO3/c11-6-7-3-4-9(14-7)10(12)8-2-1-5-13-8/h2,7,9H,1,3-6,11H2
InChIKeyLMCAURWEGOERGM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.37
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652540) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652540
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone
SMILESNCC1CCC(C(=O)C2=CCCO2)O1
InChIInChI=1S/C10H15NO3/c11-6-7-3-4-9(14-7)10(12)8-2-1-5-13-8/h2,7,9H,1,3-6,11H2
InChIKeyLMCAURWEGOERGM-UHFFFAOYSA-N
XLogP0.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.37
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]-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone (CID 102652540) is [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone is NCC1CCC(C(=O)C2=CCCO2)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is LMCAURWEGOERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-6-7-3-4-9(14-7)10(12)8-2-1-5-13-8/h2,7,9H,1,3-6,11H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 197.23 g/mol, XLogP of 0.37, 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]-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).