azane;3-prop-2-enoxyprop-1-ene;hydrochloride

C6H14ClNO — CID 173111955

IUPACazane;3-prop-2-enoxyprop-1-ene;hydrochloride
SMILESC=CCOCC=C.Cl.N
InChIInChI=1S/C6H10O.ClH.H3N/c1-3-5-7-6-4-2;;/h3-4H,1-2,5-6H2;1H;1H3
InChIKeyVTGUDDPHTDCXIU-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.96
Rot. Bonds4

About azane;3-prop-2-enoxyprop-1-ene;hydrochloride

azane;3-prop-2-enoxyprop-1-ene;hydrochloride (PubChem CID 173111955) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is azane;3-prop-2-enoxyprop-1-ene;hydrochloride.

Molecular Properties

Compound Nameazane;3-prop-2-enoxyprop-1-ene;hydrochloride
PubChem CID173111955
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nameazane;3-prop-2-enoxyprop-1-ene;hydrochloride
SMILESC=CCOCC=C.Cl.N
InChIInChI=1S/C6H10O.ClH.H3N/c1-3-5-7-6-4-2;;/h3-4H,1-2,5-6H2;1H;1H3
InChIKeyVTGUDDPHTDCXIU-UHFFFAOYSA-N
XLogP1.96
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.96
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'}

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Frequently Asked Questions

What is the IUPAC name of azane;3-prop-2-enoxyprop-1-ene;hydrochloride?
The IUPAC name of azane;3-prop-2-enoxyprop-1-ene;hydrochloride (CID 173111955) is azane;3-prop-2-enoxyprop-1-ene;hydrochloride.
What is the SMILES notation for azane;3-prop-2-enoxyprop-1-ene;hydrochloride?
The canonical SMILES for azane;3-prop-2-enoxyprop-1-ene;hydrochloride is C=CCOCC=C.Cl.N.
What is the InChIKey of azane;3-prop-2-enoxyprop-1-ene;hydrochloride?
The InChIKey is VTGUDDPHTDCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.ClH.H3N/c1-3-5-7-6-4-2;;/h3-4H,1-2,5-6H2;1H;1H3.
What are the key properties of azane;3-prop-2-enoxyprop-1-ene;hydrochloride?
azane;3-prop-2-enoxyprop-1-ene;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-prop-2-enoxyprop-1-ene;hydrochloride is sourced from PubChem (CID 173111955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).