2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one

C9H12O2 — CID 13153055

IUPAC2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one
SMILESC=C=C(C)C1(O)CCCC1=O
InChIInChI=1S/C9H12O2/c1-3-7(2)9(11)6-4-5-8(9)10/h11H,1,4-6H2,2H3
InChIKeyRMTMFUUQDZYABR-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.20
Rot. Bonds1

About 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one

2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one (PubChem CID 13153055) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one
PubChem CID13153055
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one
SMILESC=C=C(C)C1(O)CCCC1=O
InChIInChI=1S/C9H12O2/c1-3-7(2)9(11)6-4-5-8(9)10/h11H,1,4-6H2,2H3
InChIKeyRMTMFUUQDZYABR-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one?
The IUPAC name of 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one (CID 13153055) is 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one.
What is the SMILES notation for 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one?
The canonical SMILES for 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one is C=C=C(C)C1(O)CCCC1=O.
What is the InChIKey of 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one?
The InChIKey is RMTMFUUQDZYABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7(2)9(11)6-4-5-8(9)10/h11H,1,4-6H2,2H3.
What are the key properties of 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one?
2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dien-2-yl-2-hydroxycyclopentan-1-one is sourced from PubChem (CID 13153055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).