2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol

C10H12O — CID 15389805

IUPAC2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)C(O)CC1=C
InChIInChI=1S/C10H12O/c1-4-5-9-7(2)6-10(11)8(9)3/h1,10-11H,2,5-6H2,3H3
InChIKeyBUBRZGXJWBNXQV-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol

2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol (PubChem CID 15389805) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
PubChem CID15389805
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)C(O)CC1=C
InChIInChI=1S/C10H12O/c1-4-5-9-7(2)6-10(11)8(9)3/h1,10-11H,2,5-6H2,3H3
InChIKeyBUBRZGXJWBNXQV-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The IUPAC name of 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol (CID 15389805) is 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The canonical SMILES for 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol is C#CCC1=C(C)C(O)CC1=C.
What is the InChIKey of 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The InChIKey is BUBRZGXJWBNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-4-5-9-7(2)6-10(11)8(9)3/h1,10-11H,2,5-6H2,3H3.
What are the key properties of 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol has a molecular weight of 148.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol is sourced from PubChem (CID 15389805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).