CID 153340106

C7H10BN — CID 153340106

IUPAC—
SMILES[B]/C(C=C)=C/C(C)=N/C
InChIInChI=1S/C7H10BN/c1-4-7(8)5-6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+
InChIKeySNYJIVFJOZVPAK-PDTNFJSOSA-N
MW118.98 g/mol
LogP1.32
Rot. Bonds2

About CID 153340106

CID 153340106 (PubChem CID 153340106) has the molecular formula C7H10BN and a molecular weight of 118.98 g/mol.

Molecular Properties

Compound NameCID 153340106
PubChem CID153340106
Molecular FormulaC7H10BN
Molecular Weight118.98 g/mol
Exact Mass119.09
IUPAC Name—
SMILES[B]/C(C=C)=C/C(C)=N/C
InChIInChI=1S/C7H10BN/c1-4-7(8)5-6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+
InChIKeySNYJIVFJOZVPAK-PDTNFJSOSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.98
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 153340079
CID 153340079
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587322
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
CID 167117244
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503
(3Z)-4-[(3E)-5-oxohexa-1,3-dien-3-yl]tellanylhexa-3,5-dien-2-one
CID 134938517
[methyl-[(Z)-4-methyliminopent-2-en-2-yl]amino]methanethiol
CID 164812818
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
(E)-N-methoxybut-3-en-2-imine
CID 142905738

Frequently Asked Questions

What is the IUPAC name of CID 153340106?
The IUPAC name of CID 153340106 (CID 153340106) is not available.
What is the SMILES notation for CID 153340106?
The canonical SMILES for CID 153340106 is [B]/C(C=C)=C/C(C)=N/C.
What is the InChIKey of CID 153340106?
The InChIKey is SNYJIVFJOZVPAK-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H10BN/c1-4-7(8)5-6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+.
What are the key properties of CID 153340106?
CID 153340106 has a molecular weight of 118.98 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153340106 is sourced from PubChem (CID 153340106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).