[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene

C19H20 — CID 10354669

IUPAC[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
SMILESC=CCCC1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-14-17-18(15-10-6-4-7-11-15)19(17)16-12-8-5-9-13-16/h2,4-13,17-19H,1,3,14H2/t17?,18-,19+
InChIKeyQGYIUPZYVMZAFP-YQQQUEKLSA-N
MW248.37 g/mol
LogP5.15
Rot. Bonds5

About [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene

[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene (PubChem CID 10354669) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
PubChem CID10354669
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
SMILESC=CCCC1[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20/c1-2-3-14-17-18(15-10-6-4-7-11-15)19(17)16-12-8-5-9-13-16/h2,4-13,17-19H,1,3,14H2/t17?,18-,19+
InChIKeyQGYIUPZYVMZAFP-YQQQUEKLSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.15
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

(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine
CID 102026040
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
but-3-enylbenzene;silver
CID 174999453
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
1-pent-4-enyl-4-phenylsilinane
CID 173288017
(2-ethenyl-3-methoxycyclopropyl)benzene
CID 85271812
3-phenyl-1-prop-2-enylazetidine
CID 23632
4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
CID 102216647
2-[(3E)-hexa-3,5-dienyl]-3-phenyloxirane
CID 22768325
(2R,3R)-2-but-3-enyl-2-methyl-1,3-diphenylaziridine
CID 139263960

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene?
The IUPAC name of [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene (CID 10354669) is [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene.
What is the SMILES notation for [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene?
The canonical SMILES for [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene is C=CCCC1[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene?
The InChIKey is QGYIUPZYVMZAFP-YQQQUEKLSA-N. The full InChI is InChI=1S/C19H20/c1-2-3-14-17-18(15-10-6-4-7-11-15)19(17)16-12-8-5-9-13-16/h2,4-13,17-19H,1,3,14H2/t17?,18-,19+.
What are the key properties of [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene?
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene is sourced from PubChem (CID 10354669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).