CID 159889899

C5H10BN2O2V — CID 159889899

IUPAC—
SMILESCCC(=O)NN[C-]=O.[B].[CH3-].[V+2]
InChIInChI=1S/C4H7N2O2.CH3.B.V/c1-2-4(8)6-5-3-7;;;/h2H2,1H3,(H,5,7)(H,6,8);1H3;;/q2*-1;;+2
InChIKeyTXPHBPGVLKYJLD-UHFFFAOYSA-N
MW191.90 g/mol
LogP-0.85
Rot. Bonds3

About CID 159889899

CID 159889899 (PubChem CID 159889899) has the molecular formula C5H10BN2O2V and a molecular weight of 191.90 g/mol.

Molecular Properties

Compound NameCID 159889899
PubChem CID159889899
Molecular FormulaC5H10BN2O2V
Molecular Weight191.90 g/mol
Exact Mass192.03
IUPAC Name—
SMILESCCC(=O)NN[C-]=O.[B].[CH3-].[V+2]
InChIInChI=1S/C4H7N2O2.CH3.B.V/c1-2-4(8)6-5-3-7;;;/h2H2,1H3,(H,5,7)(H,6,8);1H3;;/q2*-1;;+2
InChIKeyTXPHBPGVLKYJLD-UHFFFAOYSA-N
XLogP-0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.90
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 160664038
N-methylpropanamide;propane
CID 91316585
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azane;propanehydrazide;hydroiodide
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N-bromopropanamide
CID 15647963
N'-propanoylundecanehydrazide
CID 174995270
4-fluoro-N'-propanoylbutanehydrazide
CID 54467925
2-amino-N'-propanoylpropanehydrazide
CID 82111229
N-(3-oxobutan-2-yl)propanamide
CID 22943760
CID 158941313
CID 158941313
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
ethane;propanehydrazide
CID 143310399

Frequently Asked Questions

What is the IUPAC name of CID 159889899?
The IUPAC name of CID 159889899 (CID 159889899) is not available.
What is the SMILES notation for CID 159889899?
The canonical SMILES for CID 159889899 is CCC(=O)NN[C-]=O.[B].[CH3-].[V+2].
What is the InChIKey of CID 159889899?
The InChIKey is TXPHBPGVLKYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2O2.CH3.B.V/c1-2-4(8)6-5-3-7;;;/h2H2,1H3,(H,5,7)(H,6,8);1H3;;/q2*-1;;+2.
What are the key properties of CID 159889899?
CID 159889899 has a molecular weight of 191.90 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159889899 is sourced from PubChem (CID 159889899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).