N-chloro-2-prop-2-enoxyethanamine

C5H10ClNO — CID 58852459

IUPACN-chloro-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCl
InChIInChI=1S/C5H10ClNO/c1-2-4-8-5-3-7-6/h2,7H,1,3-5H2
InChIKeyASASZVIVOJKBJN-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.93
Rot. Bonds5

About N-chloro-2-prop-2-enoxyethanamine

N-chloro-2-prop-2-enoxyethanamine (PubChem CID 58852459) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is N-chloro-2-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN-chloro-2-prop-2-enoxyethanamine
PubChem CID58852459
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC NameN-chloro-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCl
InChIInChI=1S/C5H10ClNO/c1-2-4-8-5-3-7-6/h2,7H,1,3-5H2
InChIKeyASASZVIVOJKBJN-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-2-prop-2-enoxyethanamine?
The IUPAC name of N-chloro-2-prop-2-enoxyethanamine (CID 58852459) is N-chloro-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-chloro-2-prop-2-enoxyethanamine?
The canonical SMILES for N-chloro-2-prop-2-enoxyethanamine is C=CCOCCNCl.
What is the InChIKey of N-chloro-2-prop-2-enoxyethanamine?
The InChIKey is ASASZVIVOJKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-2-4-8-5-3-7-6/h2,7H,1,3-5H2.
What are the key properties of N-chloro-2-prop-2-enoxyethanamine?
N-chloro-2-prop-2-enoxyethanamine has a molecular weight of 135.59 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-prop-2-enoxyethanamine is sourced from PubChem (CID 58852459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).