CID 153149289

C7H10BN — CID 153149289

IUPAC—
SMILES[B]C1CCC(C#N)CC1
InChIInChI=1S/C7H10BN/c8-7-3-1-6(5-9)2-4-7/h6-7H,1-4H2
InChIKeyUBSCZTLDEMMEMD-UHFFFAOYSA-N
MW118.98 g/mol
LogP1.66
Rot. Bonds

About CID 153149289

CID 153149289 (PubChem CID 153149289) has the molecular formula C7H10BN and a molecular weight of 118.98 g/mol.

Molecular Properties

Compound NameCID 153149289
PubChem CID153149289
Molecular FormulaC7H10BN
Molecular Weight118.98 g/mol
Exact Mass119.09
IUPAC Name—
SMILES[B]C1CCC(C#N)CC1
InChIInChI=1S/C7H10BN/c8-7-3-1-6(5-9)2-4-7/h6-7H,1-4H2
InChIKeyUBSCZTLDEMMEMD-UHFFFAOYSA-N
XLogP1.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.98
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 141135021
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CID 171503832
cyclohexanecarbonitrile;fluoromethane
CID 143506107
4-cyanocyclohexane-1-carboxylic acid;hydrochloride
CID 70378009
cyclopropanecarbonitrile;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 153149289?
The IUPAC name of CID 153149289 (CID 153149289) is not available.
What is the SMILES notation for CID 153149289?
The canonical SMILES for CID 153149289 is [B]C1CCC(C#N)CC1.
What is the InChIKey of CID 153149289?
The InChIKey is UBSCZTLDEMMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BN/c8-7-3-1-6(5-9)2-4-7/h6-7H,1-4H2.
What are the key properties of CID 153149289?
CID 153149289 has a molecular weight of 118.98 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153149289 is sourced from PubChem (CID 153149289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).