(2S)-2-ethenyl-3,4-dihydro-2H-chromene

C11H12O — CID 57124320

IUPAC(2S)-2-ethenyl-3,4-dihydro-2H-chromene
SMILESC=C[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C11H12O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-6,10H,1,7-8H2/t10-/m1/s1
InChIKeyZDWGQFVSHPFXAH-SNVBAGLBSA-N
MW160.22 g/mol
LogP2.57
Rot. Bonds1

About (2S)-2-ethenyl-3,4-dihydro-2H-chromene

(2S)-2-ethenyl-3,4-dihydro-2H-chromene (PubChem CID 57124320) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-ethenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-2-ethenyl-3,4-dihydro-2H-chromene
PubChem CID57124320
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(2S)-2-ethenyl-3,4-dihydro-2H-chromene
SMILESC=C[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C11H12O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-6,10H,1,7-8H2/t10-/m1/s1
InChIKeyZDWGQFVSHPFXAH-SNVBAGLBSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-2-ethenyl-3,4-dihydro-2H-chromene (CID 57124320) is (2S)-2-ethenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-2-ethenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-2-ethenyl-3,4-dihydro-2H-chromene is C=C[C@@H]1CCc2ccccc2O1.
What is the InChIKey of (2S)-2-ethenyl-3,4-dihydro-2H-chromene?
The InChIKey is ZDWGQFVSHPFXAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-6,10H,1,7-8H2/t10-/m1/s1.
What are the key properties of (2S)-2-ethenyl-3,4-dihydro-2H-chromene?
(2S)-2-ethenyl-3,4-dihydro-2H-chromene has a molecular weight of 160.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 57124320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).