1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol

C9H16N2O — CID 66821577

IUPAC1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol
SMILESC=CCN1CCN(C(O)C=C)C1
InChIInChI=1S/C9H16N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,9,12H,1-2,5-8H2
InChIKeyHJBDJRZQDBKSJT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds4

About 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol

1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol (PubChem CID 66821577) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol
PubChem CID66821577
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol
SMILESC=CCN1CCN(C(O)C=C)C1
InChIInChI=1S/C9H16N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,9,12H,1-2,5-8H2
InChIKeyHJBDJRZQDBKSJT-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol (CID 66821577) is 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol is C=CCN1CCN(C(O)C=C)C1.
What is the InChIKey of 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol?
The InChIKey is HJBDJRZQDBKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,9,12H,1-2,5-8H2.
What are the key properties of 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol?
1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enylimidazolidin-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 66821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).