CID 136734750

C7H8B — CID 136734750

IUPAC—
SMILES[B]1C=C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8B/c1-2-7-5-6(1)3-4-8-7/h1-4,6-7H,5H2/t6-,7-/m1/s1
InChIKeyAKGKIDOYAZGMEZ-RNFRBKRXSA-N
MW102.95 g/mol
LogP1.58
Rot. Bonds

About CID 136734750

CID 136734750 (PubChem CID 136734750) has the molecular formula C7H8B and a molecular weight of 102.95 g/mol.

Molecular Properties

Compound NameCID 136734750
PubChem CID136734750
Molecular FormulaC7H8B
Molecular Weight102.95 g/mol
Exact Mass103.07
IUPAC Name—
SMILES[B]1C=C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8B/c1-2-7-5-6(1)3-4-8-7/h1-4,6-7H,5H2/t6-,7-/m1/s1
InChIKeyAKGKIDOYAZGMEZ-RNFRBKRXSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.95
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
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CID 170920471
bis(bicyclo[2.2.1]hepta-2,5-diene);tetrachlororuthenium
CID 19690374
bis(bicyclo[2.2.1]hepta-2,5-diene);rhodium;perchlorate
CID 10927170
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
CID 157423842
bicyclo[2.2.1]hepta-2,5-diene;propan-2-yl formate
CID 88655487
bicyclo[2.2.1]hepta-2,5-diene;3-ethenyl-5-methylcyclopentene
CID 159756335
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
bicyclo[2.2.1]hepta-2,5-diene;propylbenzene
CID 175311370
CID 10876135
CID 10876135
bicyclo[2.2.1]hepta-2,5-diene-2-thiol
CID 121485650

Frequently Asked Questions

What is the IUPAC name of CID 136734750?
The IUPAC name of CID 136734750 (CID 136734750) is not available.
What is the SMILES notation for CID 136734750?
The canonical SMILES for CID 136734750 is [B]1C=C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of CID 136734750?
The InChIKey is AKGKIDOYAZGMEZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H8B/c1-2-7-5-6(1)3-4-8-7/h1-4,6-7H,5H2/t6-,7-/m1/s1.
What are the key properties of CID 136734750?
CID 136734750 has a molecular weight of 102.95 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136734750 is sourced from PubChem (CID 136734750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).