azane;3,3-dichloropropanal

C3H7Cl2NO — CID 88605523

IUPACazane;3,3-dichloropropanal
SMILESN.O=CCC(Cl)Cl
InChIInChI=1S/C3H4Cl2O.H3N/c4-3(5)1-2-6;/h2-3H,1H2;1H3
InChIKeyRYPHQKDHYRQQIS-UHFFFAOYSA-N
MW144.00 g/mol
LogP1.54
Rot. Bonds2

About azane;3,3-dichloropropanal

azane;3,3-dichloropropanal (PubChem CID 88605523) has the molecular formula C3H7Cl2NO and a molecular weight of 144.00 g/mol. Its IUPAC name is azane;3,3-dichloropropanal.

Molecular Properties

Compound Nameazane;3,3-dichloropropanal
PubChem CID88605523
Molecular FormulaC3H7Cl2NO
Molecular Weight144.00 g/mol
Exact Mass142.99
IUPAC Nameazane;3,3-dichloropropanal
SMILESN.O=CCC(Cl)Cl
InChIInChI=1S/C3H4Cl2O.H3N/c4-3(5)1-2-6;/h2-3H,1H2;1H3
InChIKeyRYPHQKDHYRQQIS-UHFFFAOYSA-N
XLogP1.54
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.00
LogP ≤ 51.54
H-Bond Donors ≤ 51
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 azane;3,3-dichloropropanal?
The IUPAC name of azane;3,3-dichloropropanal (CID 88605523) is azane;3,3-dichloropropanal.
What is the SMILES notation for azane;3,3-dichloropropanal?
The canonical SMILES for azane;3,3-dichloropropanal is N.O=CCC(Cl)Cl.
What is the InChIKey of azane;3,3-dichloropropanal?
The InChIKey is RYPHQKDHYRQQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O.H3N/c4-3(5)1-2-6;/h2-3H,1H2;1H3.
What are the key properties of azane;3,3-dichloropropanal?
azane;3,3-dichloropropanal has a molecular weight of 144.00 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,3-dichloropropanal is sourced from PubChem (CID 88605523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).