(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one

C10H10O2 — CID 89119022

IUPAC(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one
SMILESC=C/C=C1\C(=O)C(/C=C/C)=C1O
InChIInChI=1S/C10H10O2/c1-3-5-7-9(11)8(6-4-2)10(7)12/h3-6,11H,1H2,2H3/b6-4+,7-5-
InChIKeyUUNOOZUGMPGZHC-GUBXDBFYSA-N
MW162.19 g/mol
LogP2.07
Rot. Bonds2

About (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one

(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one (PubChem CID 89119022) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one.

Molecular Properties

Compound Name(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one
PubChem CID89119022
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one
SMILESC=C/C=C1\C(=O)C(/C=C/C)=C1O
InChIInChI=1S/C10H10O2/c1-3-5-7-9(11)8(6-4-2)10(7)12/h3-6,11H,1H2,2H3/b6-4+,7-5-
InChIKeyUUNOOZUGMPGZHC-GUBXDBFYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one?
The IUPAC name of (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one (CID 89119022) is (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one.
What is the SMILES notation for (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one?
The canonical SMILES for (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one is C=C/C=C1\C(=O)C(/C=C/C)=C1O.
What is the InChIKey of (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one?
The InChIKey is UUNOOZUGMPGZHC-GUBXDBFYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-5-7-9(11)8(6-4-2)10(7)12/h3-6,11H,1H2,2H3/b6-4+,7-5-.
What are the key properties of (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one?
(4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one has a molecular weight of 162.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-hydroxy-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclobut-2-en-1-one is sourced from PubChem (CID 89119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).