(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol

C10H12O — CID 11829602

IUPAC(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)[C@@H](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/t10-/m0/s1
InChIKeyBUBRZGXJWBNXQV-JTQLQIEISA-N
MW148.20 g/mol
LogP1.65
Rot. Bonds1

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

(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol (PubChem CID 11829602) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
PubChem CID11829602
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)[C@@H](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/t10-/m0/s1
InChIKeyBUBRZGXJWBNXQV-JTQLQIEISA-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'}

Analyze (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol (CID 11829602) is (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol is C#CCC1=C(C)[C@@H](O)CC1=C.
What is the InChIKey of (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
The InChIKey is BUBRZGXJWBNXQV-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol?
(1S)-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 (1S)-2-methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-ol is sourced from PubChem (CID 11829602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).