3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol

C11H19N3O — CID 126710384

IUPAC3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol
SMILESC=CNCC(=C)NCC(=C)NCC(=C)O
InChIInChI=1S/C11H19N3O/c1-5-12-6-9(2)13-7-10(3)14-8-11(4)15/h5,12-15H,1-4,6-8H2
InChIKeyZSYPCOKQLXPIMX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.00
Rot. Bonds9

About 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol

3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol (PubChem CID 126710384) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol
PubChem CID126710384
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol
SMILESC=CNCC(=C)NCC(=C)NCC(=C)O
InChIInChI=1S/C11H19N3O/c1-5-12-6-9(2)13-7-10(3)14-8-11(4)15/h5,12-15H,1-4,6-8H2
InChIKeyZSYPCOKQLXPIMX-UHFFFAOYSA-N
XLogP1.00
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol?
The IUPAC name of 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol (CID 126710384) is 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol.
What is the SMILES notation for 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol?
The canonical SMILES for 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol is C=CNCC(=C)NCC(=C)NCC(=C)O.
What is the InChIKey of 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol?
The InChIKey is ZSYPCOKQLXPIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-12-6-9(2)13-7-10(3)14-8-11(4)15/h5,12-15H,1-4,6-8H2.
What are the key properties of 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol?
3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.00, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(ethenylamino)prop-1-en-2-ylamino]prop-1-en-2-ylamino]prop-1-en-2-ol is sourced from PubChem (CID 126710384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).