1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one

C10H11ClO2 — CID 106691083

IUPAC1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccoc1Cl
InChIInChI=1S/C10H11ClO2/c11-10-8(5-6-13-10)9(12)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyHVQZXLPIOVAKGU-UHFFFAOYSA-N
MW198.65 g/mol
LogP3.31
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one

1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one (PubChem CID 106691083) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one
PubChem CID106691083
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccoc1Cl
InChIInChI=1S/C10H11ClO2/c11-10-8(5-6-13-10)9(12)4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyHVQZXLPIOVAKGU-UHFFFAOYSA-N
XLogP3.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one (CID 106691083) is 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one is O=C(CCC1CC1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one?
The InChIKey is HVQZXLPIOVAKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-10-8(5-6-13-10)9(12)4-3-7-1-2-7/h5-7H,1-4H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one?
1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one has a molecular weight of 198.65 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 106691083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).