2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H16BNO2 — CID 155973440

IUPAC2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES[C-]#[N+]C1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C10H16BNO2/c1-8(2)9(3,4)14-11(13-8)10(12-5)6-7-10/h6-7H2,1-4H3
InChIKeyAMQSNSZXSIEFIN-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.07
Rot. Bonds1

About 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155973440) has the molecular formula C10H16BNO2 and a molecular weight of 193.06 g/mol. Its IUPAC name is 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155973440
Molecular FormulaC10H16BNO2
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Name2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES[C-]#[N+]C1(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C10H16BNO2/c1-8(2)9(3,4)14-11(13-8)10(12-5)6-7-10/h6-7H2,1-4H3
InChIKeyAMQSNSZXSIEFIN-UHFFFAOYSA-N
XLogP2.07
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155973440) is 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is [C-]#[N+]C1(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AMQSNSZXSIEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-8(2)9(3,4)14-11(13-8)10(12-5)6-7-10/h6-7H2,1-4H3.
What are the key properties of 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 193.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).