CID 174301773

C11H20BNO2 — CID 174301773

IUPAC—
SMILES[B]OC(C)(C)CCC(C)(C)NC(=O)C=C
InChIInChI=1S/C11H20BNO2/c1-6-9(14)13-10(2,3)7-8-11(4,5)15-12/h6H,1,7-8H2,2-5H3,(H,13,14)
InChIKeyOSSDZGIHFWHIMO-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.73
Rot. Bonds6

About CID 174301773

CID 174301773 (PubChem CID 174301773) has the molecular formula C11H20BNO2 and a molecular weight of 209.10 g/mol.

Molecular Properties

Compound NameCID 174301773
PubChem CID174301773
Molecular FormulaC11H20BNO2
Molecular Weight209.10 g/mol
Exact Mass209.16
IUPAC Name—
SMILES[B]OC(C)(C)CCC(C)(C)NC(=O)C=C
InChIInChI=1S/C11H20BNO2/c1-6-9(14)13-10(2,3)7-8-11(4,5)15-12/h6H,1,7-8H2,2-5H3,(H,13,14)
InChIKeyOSSDZGIHFWHIMO-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 174301773 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
N-[2-methyl-4-[(2-methyl-3-oxopent-4-en-2-yl)amino]butan-2-yl]prop-2-enamide
CID 123790075
[4-methyl-4-(prop-2-enoylamino)pentyl]phosphonic acid
CID 87404848
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
CID 7241619
[2-methyl-2-(prop-2-enoylamino)propyl]sulfonyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 154084381
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)prop-2-enamide
CID 58969286
N-(2-methyl-1-triethoxysilylpropan-2-yl)prop-2-enamide
CID 58085096
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572

Frequently Asked Questions

What is the IUPAC name of CID 174301773?
The IUPAC name of CID 174301773 (CID 174301773) is not available.
What is the SMILES notation for CID 174301773?
The canonical SMILES for CID 174301773 is [B]OC(C)(C)CCC(C)(C)NC(=O)C=C.
What is the InChIKey of CID 174301773?
The InChIKey is OSSDZGIHFWHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO2/c1-6-9(14)13-10(2,3)7-8-11(4,5)15-12/h6H,1,7-8H2,2-5H3,(H,13,14).
What are the key properties of CID 174301773?
CID 174301773 has a molecular weight of 209.10 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174301773 is sourced from PubChem (CID 174301773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).