2-butyl-3-hydroxycycloprop-2-en-1-one

C7H10O2 — CID 59755512

IUPAC2-butyl-3-hydroxycycloprop-2-en-1-one
SMILESCCCCc1c(O)c1=O
InChIInChI=1S/C7H10O2/c1-2-3-4-5-6(8)7(5)9/h8H,2-4H2,1H3
InChIKeyALDXLEUTNTYTAW-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.97
Rot. Bonds3

About 2-butyl-3-hydroxycycloprop-2-en-1-one

2-butyl-3-hydroxycycloprop-2-en-1-one (PubChem CID 59755512) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-butyl-3-hydroxycycloprop-2-en-1-one.

Molecular Properties

Compound Name2-butyl-3-hydroxycycloprop-2-en-1-one
PubChem CID59755512
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-butyl-3-hydroxycycloprop-2-en-1-one
SMILESCCCCc1c(O)c1=O
InChIInChI=1S/C7H10O2/c1-2-3-4-5-6(8)7(5)9/h8H,2-4H2,1H3
InChIKeyALDXLEUTNTYTAW-UHFFFAOYSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-hydroxycycloprop-2-en-1-one?
The IUPAC name of 2-butyl-3-hydroxycycloprop-2-en-1-one (CID 59755512) is 2-butyl-3-hydroxycycloprop-2-en-1-one.
What is the SMILES notation for 2-butyl-3-hydroxycycloprop-2-en-1-one?
The canonical SMILES for 2-butyl-3-hydroxycycloprop-2-en-1-one is CCCCc1c(O)c1=O.
What is the InChIKey of 2-butyl-3-hydroxycycloprop-2-en-1-one?
The InChIKey is ALDXLEUTNTYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-3-4-5-6(8)7(5)9/h8H,2-4H2,1H3.
What are the key properties of 2-butyl-3-hydroxycycloprop-2-en-1-one?
2-butyl-3-hydroxycycloprop-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-hydroxycycloprop-2-en-1-one is sourced from PubChem (CID 59755512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).