2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one

C9H15NO2 — CID 102652490

IUPAC2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESCCC(CN)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-7(6-10)9(11)8-4-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeyDOLKLALWBHZTPW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds4

About 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one

2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one (PubChem CID 102652490) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one
PubChem CID102652490
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one
SMILESCCC(CN)C(=O)C1=CCCO1
InChIInChI=1S/C9H15NO2/c1-2-7(6-10)9(11)8-4-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeyDOLKLALWBHZTPW-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one (CID 102652490) is 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one is CCC(CN)C(=O)C1=CCCO1.
What is the InChIKey of 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one?
The InChIKey is DOLKLALWBHZTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7(6-10)9(11)8-4-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one?
2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,3-dihydrofuran-5-yl)butan-1-one is sourced from PubChem (CID 102652490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).