3-methylcyclopenten-1-olate

C6H9O- — CID 101379344

IUPAC3-methylcyclopenten-1-olate
SMILESCC1C=C([O-])CC1
InChIInChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4-5,7H,2-3H2,1H3/p-1
InChIKeyFRDPVMYBYHTZNL-UHFFFAOYSA-M
MW97.14 g/mol
LogP0.66
Rot. Bonds

About 3-methylcyclopenten-1-olate

3-methylcyclopenten-1-olate (PubChem CID 101379344) has the molecular formula C6H9O- and a molecular weight of 97.14 g/mol. Its IUPAC name is 3-methylcyclopenten-1-olate.

Molecular Properties

Compound Name3-methylcyclopenten-1-olate
PubChem CID101379344
Molecular FormulaC6H9O-
Molecular Weight97.14 g/mol
Exact Mass97.07
IUPAC Name3-methylcyclopenten-1-olate
SMILESCC1C=C([O-])CC1
InChIInChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4-5,7H,2-3H2,1H3/p-1
InChIKeyFRDPVMYBYHTZNL-UHFFFAOYSA-M
XLogP0.66
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopenten-1-olate?
The IUPAC name of 3-methylcyclopenten-1-olate (CID 101379344) is 3-methylcyclopenten-1-olate.
What is the SMILES notation for 3-methylcyclopenten-1-olate?
The canonical SMILES for 3-methylcyclopenten-1-olate is CC1C=C([O-])CC1.
What is the InChIKey of 3-methylcyclopenten-1-olate?
The InChIKey is FRDPVMYBYHTZNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4-5,7H,2-3H2,1H3/p-1.
What are the key properties of 3-methylcyclopenten-1-olate?
3-methylcyclopenten-1-olate has a molecular weight of 97.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopenten-1-olate is sourced from PubChem (CID 101379344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).