(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one

C10H14O2 — CID 23240958

IUPAC(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one
SMILESCCC/C=C1\CC(=O)C=C1OC
InChIInChI=1S/C10H14O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyZLYIZAWBGKXZJG-VMPITWQZSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds3

About (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one

(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one (PubChem CID 23240958) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one
PubChem CID23240958
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one
SMILESCCC/C=C1\CC(=O)C=C1OC
InChIInChI=1S/C10H14O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyZLYIZAWBGKXZJG-VMPITWQZSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one?
The IUPAC name of (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one (CID 23240958) is (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one is CCC/C=C1\CC(=O)C=C1OC.
What is the InChIKey of (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one?
The InChIKey is ZLYIZAWBGKXZJG-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-5-8-6-9(11)7-10(8)12-2/h5,7H,3-4,6H2,1-2H3/b8-5+.
What are the key properties of (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one?
(4E)-4-butylidene-3-methoxycyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butylidene-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 23240958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).