CID 90268379

C6H10BNO — CID 90268379

IUPAC—
SMILES[B]NC(=O)/C=C/CCC
InChIInChI=1S/C6H10BNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9)/b5-4+
InChIKeyGZNSCVNOBUWTKI-SNAWJCMRSA-N
MW122.96 g/mol
LogP0.54
Rot. Bonds3

About CID 90268379

CID 90268379 (PubChem CID 90268379) has the molecular formula C6H10BNO and a molecular weight of 122.96 g/mol.

Molecular Properties

Compound NameCID 90268379
PubChem CID90268379
Molecular FormulaC6H10BNO
Molecular Weight122.96 g/mol
Exact Mass123.09
IUPAC Name—
SMILES[B]NC(=O)/C=C/CCC
InChIInChI=1S/C6H10BNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9)/b5-4+
InChIKeyGZNSCVNOBUWTKI-SNAWJCMRSA-N
XLogP0.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.96
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-hex-2-enamide;hydrochloride
CID 141291310
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid
CID 90241552
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
(E)-1-fluorohept-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 90268379?
The IUPAC name of CID 90268379 (CID 90268379) is not available.
What is the SMILES notation for CID 90268379?
The canonical SMILES for CID 90268379 is [B]NC(=O)/C=C/CCC.
What is the InChIKey of CID 90268379?
The InChIKey is GZNSCVNOBUWTKI-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10BNO/c1-2-3-4-5-6(9)8-7/h4-5H,2-3H2,1H3,(H,8,9)/b5-4+.
What are the key properties of CID 90268379?
CID 90268379 has a molecular weight of 122.96 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90268379 is sourced from PubChem (CID 90268379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).