(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol

C8H11IO — CID 54576207

IUPAC(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CC[C@@]1(O)CCC=C1I
InChIInChI=1S/C8H11IO/c1-2-5-8(10)6-3-4-7(8)9/h2,4,10H,1,3,5-6H2/t8-/m1/s1
InChIKeyVQTVIQQGEVNMRL-MRVPVSSYSA-N
MW250.08 g/mol
LogP2.41
Rot. Bonds2

About (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol

(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 54576207) has the molecular formula C8H11IO and a molecular weight of 250.08 g/mol. Its IUPAC name is (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID54576207
Molecular FormulaC8H11IO
Molecular Weight250.08 g/mol
Exact Mass249.99
IUPAC Name(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CC[C@@]1(O)CCC=C1I
InChIInChI=1S/C8H11IO/c1-2-5-8(10)6-3-4-7(8)9/h2,4,10H,1,3,5-6H2/t8-/m1/s1
InChIKeyVQTVIQQGEVNMRL-MRVPVSSYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol (CID 54576207) is (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol is C=CC[C@@]1(O)CCC=C1I.
What is the InChIKey of (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is VQTVIQQGEVNMRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11IO/c1-2-5-8(10)6-3-4-7(8)9/h2,4,10H,1,3,5-6H2/t8-/m1/s1.
What are the key properties of (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol?
(1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 250.08 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-iodo-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 54576207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).