CID 18739109

C5H10BNO — CID 18739109

IUPAC—
SMILES[B]N(C)C(=O)CCC
InChIInChI=1S/C5H10BNO/c1-3-4-5(8)7(2)6/h3-4H2,1-2H3
InChIKeyDGUMNLIRPQYRNL-UHFFFAOYSA-N
MW110.95 g/mol
LogP0.33
Rot. Bonds2

About CID 18739109

CID 18739109 (PubChem CID 18739109) has the molecular formula C5H10BNO and a molecular weight of 110.95 g/mol.

Molecular Properties

Compound NameCID 18739109
PubChem CID18739109
Molecular FormulaC5H10BNO
Molecular Weight110.95 g/mol
Exact Mass111.09
IUPAC Name—
SMILES[B]N(C)C(=O)CCC
InChIInChI=1S/C5H10BNO/c1-3-4-5(8)7(2)6/h3-4H2,1-2H3
InChIKeyDGUMNLIRPQYRNL-UHFFFAOYSA-N
XLogP0.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.95
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylbutanamide;hydrochloride
CID 87498306
N-acetyl-N-methylbutanamide
CID 142271883
N,N-dibromobutanamide
CID 154147629
N-(dimethylcarbamoyl)-N-methylbutanamide
CID 178179553
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-methyl-N-sulfamoylbutanamide
CID 173192281
1-[methyl(sulfinato)amino]-1-oxobutane
CID 91447373
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179
N-propylbutanehydrazide
CID 165487733

Frequently Asked Questions

What is the IUPAC name of CID 18739109?
The IUPAC name of CID 18739109 (CID 18739109) is not available.
What is the SMILES notation for CID 18739109?
The canonical SMILES for CID 18739109 is [B]N(C)C(=O)CCC.
What is the InChIKey of CID 18739109?
The InChIKey is DGUMNLIRPQYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO/c1-3-4-5(8)7(2)6/h3-4H2,1-2H3.
What are the key properties of CID 18739109?
CID 18739109 has a molecular weight of 110.95 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18739109 is sourced from PubChem (CID 18739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).