CID 174135769

C5H10B3N2O — CID 174135769

IUPAC—
SMILES[B][B]NCCN([B])CC(C)=O
InChIInChI=1S/C5H10B3N2O/c1-5(11)4-10(7)3-2-9-8-6/h9H,2-4H2,1H3
InChIKeyBMYTYPQXIKERIU-UHFFFAOYSA-N
MW146.58 g/mol
LogP-1.75
Rot. Bonds6

About CID 174135769

CID 174135769 (PubChem CID 174135769) has the molecular formula C5H10B3N2O and a molecular weight of 146.58 g/mol.

Molecular Properties

Compound NameCID 174135769
PubChem CID174135769
Molecular FormulaC5H10B3N2O
Molecular Weight146.58 g/mol
Exact Mass147.11
IUPAC Name—
SMILES[B][B]NCCN([B])CC(C)=O
InChIInChI=1S/C5H10B3N2O/c1-5(11)4-10(7)3-2-9-8-6/h9H,2-4H2,1H3
InChIKeyBMYTYPQXIKERIU-UHFFFAOYSA-N
XLogP-1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174135762
CID 174135762
undecane-2,4,6,8,10-pentone
CID 174158301
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571
Lithium pentane-2,4-dione
CID 86735745
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
hexane-2,4-dione;platinum
CID 161447923
CID 156874754
CID 156874754
N-ethyl-N-methylacetamide;N-methyl-N-(2-oxopropyl)acetamide
CID 158566943
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
N-methyl-2-[[2-(methylamino)-2-oxoethyl]-(2-oxopropyl)amino]acetamide
CID 163933463
CID 59283937
CID 59283937
1-[2-oxopropyl(propan-2-yl)amino]propan-2-one
CID 59404270

Frequently Asked Questions

What is the IUPAC name of CID 174135769?
The IUPAC name of CID 174135769 (CID 174135769) is not available.
What is the SMILES notation for CID 174135769?
The canonical SMILES for CID 174135769 is [B][B]NCCN([B])CC(C)=O.
What is the InChIKey of CID 174135769?
The InChIKey is BMYTYPQXIKERIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10B3N2O/c1-5(11)4-10(7)3-2-9-8-6/h9H,2-4H2,1H3.
What are the key properties of CID 174135769?
CID 174135769 has a molecular weight of 146.58 g/mol, XLogP of -1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135769 is sourced from PubChem (CID 174135769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).