cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde

C13H16O — CID 78427687

IUPACcis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde
SMILESC[C@@H](c1ccccc1)[C@@H]1C[C@@]1(C)C=O
InChIInChI=1S/C13H16O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h3-7,9-10,12H,8H2,1-2H3/t10-,12-,13-/m0/s1
InChIKeyCFCUCGRZZZWNOA-DRZSPHRISA-N
MW188.27 g/mol
LogP3.02
Rot. Bonds3

About cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde

cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde (PubChem CID 78427687) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde
PubChem CID78427687
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde
SMILESC[C@@H](c1ccccc1)[C@@H]1C[C@@]1(C)C=O
InChIInChI=1S/C13H16O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h3-7,9-10,12H,8H2,1-2H3/t10-,12-,13-/m0/s1
InChIKeyCFCUCGRZZZWNOA-DRZSPHRISA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[2-methyl-2-[(Z)-prop-1-enyl]cyclopropyl]ethyl]benzene
CID 144703785
(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
CID 118556579
1-phenyl-2-(1-phenylethyl)cyclopropane-1-carboxamide
CID 69092013
3-(1-phenylethyl)azetidine-1-carbaldehyde
CID 175161452
[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
CID 126633442
1-methyl-2-(2-phenylethynyl)cyclopropane-1-carbaldehyde
CID 130026200
(2R,3R)-2-fluoro-3-phenylbutanal
CID 134987463
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
[1-methyl-2-[1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 78427816
[(1S,2S)-1-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 118556574
[(1R,2S)-1-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 90431842

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde (CID 78427687) is cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde is C[C@@H](c1ccccc1)[C@@H]1C[C@@]1(C)C=O.
What is the InChIKey of cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde?
The InChIKey is CFCUCGRZZZWNOA-DRZSPHRISA-N. The full InChI is InChI=1S/C13H16O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h3-7,9-10,12H,8H2,1-2H3/t10-,12-,13-/m0/s1.
What are the key properties of cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde?
cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 78427687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).