1-deuterioprop-2-enylbenzene

C9H10 — CID 11240464

IUPAC1-deuterioprop-2-enylbenzene
SMILES[2H]C(C=C)c1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/i6D
InChIKeyHJWLCRVIBGQPNF-RAMDWTOOSA-N
MW119.19 g/mol
LogP2.42
Rot. Bonds2

About 1-deuterioprop-2-enylbenzene

1-deuterioprop-2-enylbenzene (PubChem CID 11240464) has the molecular formula C9H10 and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-deuterioprop-2-enylbenzene.

Molecular Properties

Compound Name1-deuterioprop-2-enylbenzene
PubChem CID11240464
Molecular FormulaC9H10
Molecular Weight119.19 g/mol
Exact Mass119.08
IUPAC Name1-deuterioprop-2-enylbenzene
SMILES[2H]C(C=C)c1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/i6D
InChIKeyHJWLCRVIBGQPNF-RAMDWTOOSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
but-3-enylbenzene;silver
CID 174999453
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
chloromethylbenzene;prop-2-enylbenzene
CID 174528909

Frequently Asked Questions

What is the IUPAC name of 1-deuterioprop-2-enylbenzene?
The IUPAC name of 1-deuterioprop-2-enylbenzene (CID 11240464) is 1-deuterioprop-2-enylbenzene.
What is the SMILES notation for 1-deuterioprop-2-enylbenzene?
The canonical SMILES for 1-deuterioprop-2-enylbenzene is [2H]C(C=C)c1ccccc1.
What is the InChIKey of 1-deuterioprop-2-enylbenzene?
The InChIKey is HJWLCRVIBGQPNF-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2/i6D.
What are the key properties of 1-deuterioprop-2-enylbenzene?
1-deuterioprop-2-enylbenzene has a molecular weight of 119.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterioprop-2-enylbenzene is sourced from PubChem (CID 11240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).