(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

C15H16O — CID 163653451

IUPAC(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESC[C@@H]1C2C=CC1C(c1ccccc1)C2C=O
InChIInChI=1S/C15H16O/c1-10-12-7-8-13(10)15(14(12)9-16)11-5-3-2-4-6-11/h2-10,12-15H,1H3/t10-,12?,13?,14?,15?/m1/s1
InChIKeyIOEMJLXAYMHWBG-CZSKLPPPSA-N
MW212.29 g/mol
LogP3.04
Rot. Bonds2

About (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde

(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (PubChem CID 163653451) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.

Molecular Properties

Compound Name(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
PubChem CID163653451
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
SMILESC[C@@H]1C2C=CC1C(c1ccccc1)C2C=O
InChIInChI=1S/C15H16O/c1-10-12-7-8-13(10)15(14(12)9-16)11-5-3-2-4-6-11/h2-10,12-15H,1H3/t10-,12?,13?,14?,15?/m1/s1
InChIKeyIOEMJLXAYMHWBG-CZSKLPPPSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 100919927
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CID 83481885
(1S,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
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(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
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(4S)-4,5-diphenylimidazolidine-2-carbaldehyde
CID 88594019
(1R,2S,3R)-2-(4-bromobenzoyl)-3-phenylcyclopropane-1-carbaldehyde
CID 101448676
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
(1R,2R,6S,7S)-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10487543
(3R,4R,5S)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbaldehyde
CID 12982841

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The IUPAC name of (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde (CID 163653451) is (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde.
What is the SMILES notation for (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The canonical SMILES for (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is C[C@@H]1C2C=CC1C(c1ccccc1)C2C=O.
What is the InChIKey of (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
The InChIKey is IOEMJLXAYMHWBG-CZSKLPPPSA-N. The full InChI is InChI=1S/C15H16O/c1-10-12-7-8-13(10)15(14(12)9-16)11-5-3-2-4-6-11/h2-10,12-15H,1H3/t10-,12?,13?,14?,15?/m1/s1.
What are the key properties of (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde?
(7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde is sourced from PubChem (CID 163653451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).