2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol

C6H11NO3 — CID 166942628

IUPAC2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
SMILES[H]/N=C/C=C\OC(C)C(O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)10-4-2-3-7/h2-9H,1H3/b4-2-,7-3+
InChIKeyHUTMQACWUJULIT-UFSYDLLYSA-N
MW145.16 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol

2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol (PubChem CID 166942628) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol.

Molecular Properties

Compound Name2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
PubChem CID166942628
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
SMILES[H]/N=C/C=C\OC(C)C(O)O
InChIInChI=1S/C6H11NO3/c1-5(6(8)9)10-4-2-3-7/h2-9H,1H3/b4-2-,7-3+
InChIKeyHUTMQACWUJULIT-UFSYDLLYSA-N
XLogP-0.13
TPSA73.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol?
The IUPAC name of 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol (CID 166942628) is 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol.
What is the SMILES notation for 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol?
The canonical SMILES for 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol is [H]/N=C/C=C\OC(C)C(O)O.
What is the InChIKey of 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol?
The InChIKey is HUTMQACWUJULIT-UFSYDLLYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(6(8)9)10-4-2-3-7/h2-9H,1H3/b4-2-,7-3+.
What are the key properties of 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol?
2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol has a molecular weight of 145.16 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol is sourced from PubChem (CID 166942628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).