2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone

C10H15NO2 — CID 102652427

IUPAC2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CNCC1CC1)C1=CCCO1
InChIInChI=1S/C10H15NO2/c12-9(10-2-1-5-13-10)7-11-6-8-3-4-8/h2,8,11H,1,3-7H2
InChIKeyGLUVCJNAVXAVRF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone

2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (PubChem CID 102652427) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
PubChem CID102652427
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CNCC1CC1)C1=CCCO1
InChIInChI=1S/C10H15NO2/c12-9(10-2-1-5-13-10)7-11-6-8-3-4-8/h2,8,11H,1,3-7H2
InChIKeyGLUVCJNAVXAVRF-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone (CID 102652427) is 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is O=C(CNCC1CC1)C1=CCCO1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
The InChIKey is GLUVCJNAVXAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9(10-2-1-5-13-10)7-11-6-8-3-4-8/h2,8,11H,1,3-7H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone?
2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(2,3-dihydrofuran-5-yl)ethanone is sourced from PubChem (CID 102652427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).