CID 15963515

C12H15BN — CID 15963515

IUPAC—
SMILESC=CC[C@H]1c2ccccc2CN1C.[B]
InChIInChI=1S/C12H15N.B/c1-3-6-12-11-8-5-4-7-10(11)9-13(12)2;/h3-5,7-8,12H,1,6,9H2,2H3;/t12-;/m0./s1
InChIKeyUMVZQDJLHPIWTM-YDALLXLXSA-N
MW184.07 g/mol
LogP2.37
Rot. Bonds2

About CID 15963515

CID 15963515 (PubChem CID 15963515) has the molecular formula C12H15BN and a molecular weight of 184.07 g/mol.

Molecular Properties

Compound NameCID 15963515
PubChem CID15963515
Molecular FormulaC12H15BN
Molecular Weight184.07 g/mol
Exact Mass184.13
IUPAC Name—
SMILESC=CC[C@H]1c2ccccc2CN1C.[B]
InChIInChI=1S/C12H15N.B/c1-3-6-12-11-8-5-4-7-10(11)9-13(12)2;/h3-5,7-8,12H,1,6,9H2,2H3;/t12-;/m0./s1
InChIKeyUMVZQDJLHPIWTM-YDALLXLXSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 15963515?
The IUPAC name of CID 15963515 (CID 15963515) is not available.
What is the SMILES notation for CID 15963515?
The canonical SMILES for CID 15963515 is C=CC[C@H]1c2ccccc2CN1C.[B].
What is the InChIKey of CID 15963515?
The InChIKey is UMVZQDJLHPIWTM-YDALLXLXSA-N. The full InChI is InChI=1S/C12H15N.B/c1-3-6-12-11-8-5-4-7-10(11)9-13(12)2;/h3-5,7-8,12H,1,6,9H2,2H3;/t12-;/m0./s1.
What are the key properties of CID 15963515?
CID 15963515 has a molecular weight of 184.07 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15963515 is sourced from PubChem (CID 15963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).