CID 174088436

C7H11BN2 — CID 174088436

IUPAC—
SMILES[B]CC1=NN=CC1C(C)C
InChIInChI=1S/C7H11BN2/c1-5(2)6-4-9-10-7(6)3-8/h4-6H,3H2,1-2H3
InChIKeyONZLHORVFHPRRM-UHFFFAOYSA-N
MW133.99 g/mol
LogP1.29
Rot. Bonds2

About CID 174088436

CID 174088436 (PubChem CID 174088436) has the molecular formula C7H11BN2 and a molecular weight of 133.99 g/mol.

Molecular Properties

Compound NameCID 174088436
PubChem CID174088436
Molecular FormulaC7H11BN2
Molecular Weight133.99 g/mol
Exact Mass134.10
IUPAC Name—
SMILES[B]CC1=NN=CC1C(C)C
InChIInChI=1S/C7H11BN2/c1-5(2)6-4-9-10-7(6)3-8/h4-6H,3H2,1-2H3
InChIKeyONZLHORVFHPRRM-UHFFFAOYSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.99
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174088436?
The IUPAC name of CID 174088436 (CID 174088436) is not available.
What is the SMILES notation for CID 174088436?
The canonical SMILES for CID 174088436 is [B]CC1=NN=CC1C(C)C.
What is the InChIKey of CID 174088436?
The InChIKey is ONZLHORVFHPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2/c1-5(2)6-4-9-10-7(6)3-8/h4-6H,3H2,1-2H3.
What are the key properties of CID 174088436?
CID 174088436 has a molecular weight of 133.99 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174088436 is sourced from PubChem (CID 174088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).