N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide

C13H19NO4 — CID 69287396

IUPACN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide
SMILESC=CCN(CC=CO)C(=O)C1(CC=C)OCCO1
InChIInChI=1S/C13H19NO4/c1-3-6-13(17-10-11-18-13)12(16)14(7-4-2)8-5-9-15/h3-5,9,15H,1-2,6-8,10-11H2
InChIKeyTXELFCTYAGJUII-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.39
Rot. Bonds7

About N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide

N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide (PubChem CID 69287396) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide
PubChem CID69287396
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide
SMILESC=CCN(CC=CO)C(=O)C1(CC=C)OCCO1
InChIInChI=1S/C13H19NO4/c1-3-6-13(17-10-11-18-13)12(16)14(7-4-2)8-5-9-15/h3-5,9,15H,1-2,6-8,10-11H2
InChIKeyTXELFCTYAGJUII-UHFFFAOYSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide?
The IUPAC name of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide (CID 69287396) is N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide?
The canonical SMILES for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide is C=CCN(CC=CO)C(=O)C1(CC=C)OCCO1.
What is the InChIKey of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide?
The InChIKey is TXELFCTYAGJUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-6-13(17-10-11-18-13)12(16)14(7-4-2)8-5-9-15/h3-5,9,15H,1-2,6-8,10-11H2.
What are the key properties of N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide?
N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyprop-2-enyl)-N,2-bis(prop-2-enyl)-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 69287396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).