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

C9H12O — CID 87393223

IUPAC(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)[C@@H](O)CC1
InChIInChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h1,9-10H,4-6H2,2H3/t9-/m0/s1
InChIKeyUXYXBKYEYIFHIF-VIFPVBQESA-N
MW136.19 g/mol
LogP1.48
Rot. Bonds1

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

(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol (PubChem CID 87393223) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol
PubChem CID87393223
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1=C(C)[C@@H](O)CC1
InChIInChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h1,9-10H,4-6H2,2H3/t9-/m0/s1
InChIKeyUXYXBKYEYIFHIF-VIFPVBQESA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol (CID 87393223) is (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol is C#CCC1=C(C)[C@@H](O)CC1.
What is the InChIKey of (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol?
The InChIKey is UXYXBKYEYIFHIF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h1,9-10H,4-6H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol?
(1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-3-prop-2-ynylcyclopent-2-en-1-ol is sourced from PubChem (CID 87393223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).