3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde

C15H14ClNO2 — CID 54166962

IUPAC3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(Cl)(Oc2ccc3ccccc3c2)C1
InChIInChI=1S/C15H14ClNO2/c16-15(7-8-17(10-15)11-18)19-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,11H,7-8,10H2
InChIKeyOSICCUWJKYGVKT-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde

3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde (PubChem CID 54166962) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde
PubChem CID54166962
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(Cl)(Oc2ccc3ccccc3c2)C1
InChIInChI=1S/C15H14ClNO2/c16-15(7-8-17(10-15)11-18)19-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,11H,7-8,10H2
InChIKeyOSICCUWJKYGVKT-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde?
The IUPAC name of 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde (CID 54166962) is 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde is O=CN1CCC(Cl)(Oc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde?
The InChIKey is OSICCUWJKYGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-15(7-8-17(10-15)11-18)19-14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,11H,7-8,10H2.
What are the key properties of 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde?
3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde has a molecular weight of 275.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-naphthalen-2-yloxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 54166962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).