(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide

C13H24N3O3P — CID 137398661

IUPAC(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide
SMILESC=C/N=C(N)/C=C\N(C)C1CCC(COP(=C)(C)O)O1
InChIInChI=1S/C13H24N3O3P/c1-5-15-12(14)8-9-16(2)13-7-6-11(19-13)10-18-20(3,4)17/h5,8-9,11,13,17H,1,3,6-7,10H2,2,4H3,(H2,14,15)/b9-8-
InChIKeyPNQAQJIYOLJDEC-HJWRWDBZSA-N
MW301.33 g/mol
LogP1.36
Rot. Bonds7

About (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide

(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide (PubChem CID 137398661) has the molecular formula C13H24N3O3P and a molecular weight of 301.33 g/mol. Its IUPAC name is (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide
PubChem CID137398661
Molecular FormulaC13H24N3O3P
Molecular Weight301.33 g/mol
Exact Mass301.16
IUPAC Name(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide
SMILESC=C/N=C(N)/C=C\N(C)C1CCC(COP(=C)(C)O)O1
InChIInChI=1S/C13H24N3O3P/c1-5-15-12(14)8-9-16(2)13-7-6-11(19-13)10-18-20(3,4)17/h5,8-9,11,13,17H,1,3,6-7,10H2,2,4H3,(H2,14,15)/b9-8-
InChIKeyPNQAQJIYOLJDEC-HJWRWDBZSA-N
XLogP1.36
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide (CID 137398661) is (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide is C=C/N=C(N)/C=C\N(C)C1CCC(COP(=C)(C)O)O1.
What is the InChIKey of (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide?
The InChIKey is PNQAQJIYOLJDEC-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H24N3O3P/c1-5-15-12(14)8-9-16(2)13-7-6-11(19-13)10-18-20(3,4)17/h5,8-9,11,13,17H,1,3,6-7,10H2,2,4H3,(H2,14,15)/b9-8-.
What are the key properties of (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide?
(Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide has a molecular weight of 301.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-3-[[5-[(hydroxy-methyl-methylidene-λ5-phosphanyl)oxymethyl]oxolan-2-yl]-methylamino]prop-2-enimidamide is sourced from PubChem (CID 137398661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).