(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde

C7H9ClO — CID 89174199

IUPAC(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1=C[C@@H](Cl)C[C@H]1C=O
InChIInChI=1S/C7H9ClO/c1-5-2-7(8)3-6(5)4-9/h2,4,6-7H,3H2,1H3/t6-,7+/m0/s1
InChIKeyJPUDSXMBISQKJS-NKWVEPMBSA-N
MW144.60 g/mol
LogP1.76
Rot. Bonds1

About (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde

(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde (PubChem CID 89174199) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde
PubChem CID89174199
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1=C[C@@H](Cl)C[C@H]1C=O
InChIInChI=1S/C7H9ClO/c1-5-2-7(8)3-6(5)4-9/h2,4,6-7H,3H2,1H3/t6-,7+/m0/s1
InChIKeyJPUDSXMBISQKJS-NKWVEPMBSA-N
XLogP1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde?
The IUPAC name of (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde (CID 89174199) is (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde is CC1=C[C@@H](Cl)C[C@H]1C=O.
What is the InChIKey of (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde?
The InChIKey is JPUDSXMBISQKJS-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5-2-7(8)3-6(5)4-9/h2,4,6-7H,3H2,1H3/t6-,7+/m0/s1.
What are the key properties of (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde?
(1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde has a molecular weight of 144.60 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-chloro-2-methylcyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 89174199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).