3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one

C10H17NO2 — CID 102652608

IUPAC3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one
SMILESCCCC(N)CC(=O)C1=CCCO1
InChIInChI=1S/C10H17NO2/c1-2-4-8(11)7-9(12)10-5-3-6-13-10/h5,8H,2-4,6-7,11H2,1H3
InChIKeySAMYTPJIWZJINN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one

3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one (PubChem CID 102652608) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one
PubChem CID102652608
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one
SMILESCCCC(N)CC(=O)C1=CCCO1
InChIInChI=1S/C10H17NO2/c1-2-4-8(11)7-9(12)10-5-3-6-13-10/h5,8H,2-4,6-7,11H2,1H3
InChIKeySAMYTPJIWZJINN-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one (CID 102652608) is 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one is CCCC(N)CC(=O)C1=CCCO1.
What is the InChIKey of 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one?
The InChIKey is SAMYTPJIWZJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-4-8(11)7-9(12)10-5-3-6-13-10/h5,8H,2-4,6-7,11H2,1H3.
What are the key properties of 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one?
3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one is sourced from PubChem (CID 102652608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).