(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide

C9H16BNO4 — CID 174086649

IUPAC(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide
SMILESCCCB1OC(C(=O)N(C)C)[C@H](C=O)O1
InChIInChI=1S/C9H16BNO4/c1-4-5-10-14-7(6-12)8(15-10)9(13)11(2)3/h6-8H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyRDDFGBSSBOCXBB-JAMMHHFISA-N
MW213.04 g/mol
LogP-0.04
Rot. Bonds4

About (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide

(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide (PubChem CID 174086649) has the molecular formula C9H16BNO4 and a molecular weight of 213.04 g/mol. Its IUPAC name is (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide.

Molecular Properties

Compound Name(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide
PubChem CID174086649
Molecular FormulaC9H16BNO4
Molecular Weight213.04 g/mol
Exact Mass213.12
IUPAC Name(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide
SMILESCCCB1OC(C(=O)N(C)C)[C@H](C=O)O1
InChIInChI=1S/C9H16BNO4/c1-4-5-10-14-7(6-12)8(15-10)9(13)11(2)3/h6-8H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyRDDFGBSSBOCXBB-JAMMHHFISA-N
XLogP-0.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide?
The IUPAC name of (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide (CID 174086649) is (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide.
What is the SMILES notation for (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide?
The canonical SMILES for (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide is CCCB1OC(C(=O)N(C)C)[C@H](C=O)O1.
What is the InChIKey of (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide?
The InChIKey is RDDFGBSSBOCXBB-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16BNO4/c1-4-5-10-14-7(6-12)8(15-10)9(13)11(2)3/h6-8H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide?
(5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide has a molecular weight of 213.04 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-formyl-N,N-dimethyl-2-propyl-1,3,2-dioxaborolane-4-carboxamide is sourced from PubChem (CID 174086649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).