1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol

C9H17NO2 — CID 139785987

IUPAC1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCC=C
InChIInChI=1S/C9H17NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h3-4,9-11H,1-2,5-8H2
InChIKeyFZJRXDXSXZARGX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.33
Rot. Bonds8

About 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol

1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 139785987) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID139785987
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCC=C
InChIInChI=1S/C9H17NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h3-4,9-11H,1-2,5-8H2
InChIKeyFZJRXDXSXZARGX-UHFFFAOYSA-N
XLogP0.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol (CID 139785987) is 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COCC=C.
What is the InChIKey of 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is FZJRXDXSXZARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-10-7-9(11)8-12-6-4-2/h3-4,9-11H,1-2,5-8H2.
What are the key properties of 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol?
1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 171.24 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 139785987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).