(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine

C11H21BIN2O2P — CID 177003518

IUPAC(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine
SMILESC/C(N)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=N/PI
InChIInChI=1S/C11H21BIN2O2P/c1-7(14)9(8(2)15-18-13)12-16-10(3,4)11(5,6)17-12/h18H,14H2,1-6H3/b9-7+,15-8+
InChIKeyGWBMMLNSALQDNO-KZVYIGENSA-N
MW381.99 g/mol
LogP3.25
Rot. Bonds3

About (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine

(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine (PubChem CID 177003518) has the molecular formula C11H21BIN2O2P and a molecular weight of 381.99 g/mol. Its IUPAC name is (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine
PubChem CID177003518
Molecular FormulaC11H21BIN2O2P
Molecular Weight381.99 g/mol
Exact Mass382.05
IUPAC Name(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine
SMILESC/C(N)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=N/PI
InChIInChI=1S/C11H21BIN2O2P/c1-7(14)9(8(2)15-18-13)12-16-10(3,4)11(5,6)17-12/h18H,14H2,1-6H3/b9-7+,15-8+
InChIKeyGWBMMLNSALQDNO-KZVYIGENSA-N
XLogP3.25
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.99
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine?
The IUPAC name of (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine (CID 177003518) is (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine.
What is the SMILES notation for (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine?
The canonical SMILES for (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine is C/C(N)=C(B1OC(C)(C)C(C)(C)O1)/C(C)=N/PI.
What is the InChIKey of (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine?
The InChIKey is GWBMMLNSALQDNO-KZVYIGENSA-N. The full InChI is InChI=1S/C11H21BIN2O2P/c1-7(14)9(8(2)15-18-13)12-16-10(3,4)11(5,6)17-12/h18H,14H2,1-6H3/b9-7+,15-8+.
What are the key properties of (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine?
(Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine has a molecular weight of 381.99 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-iodophosphanylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-2-en-2-amine is sourced from PubChem (CID 177003518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).