CID 153340079

C7H10BNO — CID 153340079

IUPAC—
SMILES[B]/C(C=C)=C/C(=N/C)OC
InChIInChI=1S/C7H10BNO/c1-4-6(8)5-7(9-2)10-3/h4-5H,1H2,2-3H3/b6-5+,9-7-
InChIKeyLTKTXLJVHIASQU-UQIVLYAPSA-N
MW134.97 g/mol
LogP0.90
Rot. Bonds2

About CID 153340079

CID 153340079 (PubChem CID 153340079) has the molecular formula C7H10BNO and a molecular weight of 134.97 g/mol.

Molecular Properties

Compound NameCID 153340079
PubChem CID153340079
Molecular FormulaC7H10BNO
Molecular Weight134.97 g/mol
Exact Mass135.09
IUPAC Name—
SMILES[B]/C(C=C)=C/C(=N/C)OC
InChIInChI=1S/C7H10BNO/c1-4-6(8)5-7(9-2)10-3/h4-5H,1H2,2-3H3/b6-5+,9-7-
InChIKeyLTKTXLJVHIASQU-UQIVLYAPSA-N
XLogP0.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.97
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 153340106
CID 153340106
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222
methyl (1E)-N-(1-aminoethenyl)prop-2-enimidate
CID 176972059
methyl 2-(3,3-dimethylbut-1-en-2-ylimino)-N-methylethanimidate
CID 156542257
methyl (E)-3-(1-methoxyprop-2-enylideneamino)-2-methylprop-2-enoate
CID 166894690
ethenoxyethene;methyl prop-2-enoate
CID 159119515
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
(E)-N-methoxybut-3-en-2-imine
CID 142905738
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
CID 171835163
4-methoxyhexa-3,5-dien-2-one
CID 71435103

Frequently Asked Questions

What is the IUPAC name of CID 153340079?
The IUPAC name of CID 153340079 (CID 153340079) is not available.
What is the SMILES notation for CID 153340079?
The canonical SMILES for CID 153340079 is [B]/C(C=C)=C/C(=N/C)OC.
What is the InChIKey of CID 153340079?
The InChIKey is LTKTXLJVHIASQU-UQIVLYAPSA-N. The full InChI is InChI=1S/C7H10BNO/c1-4-6(8)5-7(9-2)10-3/h4-5H,1H2,2-3H3/b6-5+,9-7-.
What are the key properties of CID 153340079?
CID 153340079 has a molecular weight of 134.97 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153340079 is sourced from PubChem (CID 153340079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).