N-(1-ethenylboranylideneethyl)acetamide

C6H10BNO — CID 143580948

IUPACN-(1-ethenylboranylideneethyl)acetamide
SMILESC=C/B=C(\C)NC(C)=O
InChIInChI=1S/C6H10BNO/c1-4-7-5(2)8-6(3)9/h4H,1H2,2-3H3,(H,8,9)
InChIKeyHDUISQYAGHOECC-UHFFFAOYSA-N
MW122.96 g/mol
LogP0.12
Rot. Bonds2

About N-(1-ethenylboranylideneethyl)acetamide

N-(1-ethenylboranylideneethyl)acetamide (PubChem CID 143580948) has the molecular formula C6H10BNO and a molecular weight of 122.96 g/mol. Its IUPAC name is N-(1-ethenylboranylideneethyl)acetamide.

Molecular Properties

Compound NameN-(1-ethenylboranylideneethyl)acetamide
PubChem CID143580948
Molecular FormulaC6H10BNO
Molecular Weight122.96 g/mol
Exact Mass123.09
IUPAC NameN-(1-ethenylboranylideneethyl)acetamide
SMILESC=C/B=C(\C)NC(C)=O
InChIInChI=1S/C6H10BNO/c1-4-7-5(2)8-6(3)9/h4H,1H2,2-3H3,(H,8,9)
InChIKeyHDUISQYAGHOECC-UHFFFAOYSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.96
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(N-acetylacetamide);gallane
CID 175572719
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
CID 89197729
N-(2-oxopropanimidoyl)acetamide
CID 152749756
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-carbamothioylacetamide;prop-2-enylthiourea
CID 174513700
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 89013106
N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
CID 139357083
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
N-[(E)-4-oxobut-2-en-2-yl]acetamide
CID 89080248

Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylboranylideneethyl)acetamide?
The IUPAC name of N-(1-ethenylboranylideneethyl)acetamide (CID 143580948) is N-(1-ethenylboranylideneethyl)acetamide.
What is the SMILES notation for N-(1-ethenylboranylideneethyl)acetamide?
The canonical SMILES for N-(1-ethenylboranylideneethyl)acetamide is C=C/B=C(\C)NC(C)=O.
What is the InChIKey of N-(1-ethenylboranylideneethyl)acetamide?
The InChIKey is HDUISQYAGHOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BNO/c1-4-7-5(2)8-6(3)9/h4H,1H2,2-3H3,(H,8,9).
What are the key properties of N-(1-ethenylboranylideneethyl)acetamide?
N-(1-ethenylboranylideneethyl)acetamide has a molecular weight of 122.96 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylboranylideneethyl)acetamide is sourced from PubChem (CID 143580948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).