1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene

C10H11BN- — CID 11159495

IUPAC1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene
SMILESCn1ccc[b-]1-c1ccccc1
InChIInChI=1S/C10H11BN/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-9H,1H3/q-1
InChIKeyVYCVYQSVAFMFPK-UHFFFAOYSA-N
MW156.02 g/mol
LogP2.04
Rot. Bonds1

About 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene

1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene (PubChem CID 11159495) has the molecular formula C10H11BN- and a molecular weight of 156.02 g/mol. Its IUPAC name is 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene.

Molecular Properties

Compound Name1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene
PubChem CID11159495
Molecular FormulaC10H11BN-
Molecular Weight156.02 g/mol
Exact Mass156.10
IUPAC Name1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene
SMILESCn1ccc[b-]1-c1ccccc1
InChIInChI=1S/C10H11BN/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-9H,1H3/q-1
InChIKeyVYCVYQSVAFMFPK-UHFFFAOYSA-N
XLogP2.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene?
The IUPAC name of 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene (CID 11159495) is 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene.
What is the SMILES notation for 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene?
The canonical SMILES for 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene is Cn1ccc[b-]1-c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene?
The InChIKey is VYCVYQSVAFMFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-9H,1H3/q-1.
What are the key properties of 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene?
1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene has a molecular weight of 156.02 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-1-aza-2-boranuidacyclopenta-2,4-diene is sourced from PubChem (CID 11159495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).