2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine

C8H12BNO — CID 135556134

IUPAC2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine
SMILESCC1COB(C2=CCC=C2)N1
InChIInChI=1S/C8H12BNO/c1-7-6-11-9(10-7)8-4-2-3-5-8/h2,4-5,7,10H,3,6H2,1H3
InChIKeyVTUBYWRCZSYVDR-UHFFFAOYSA-N
MW149.00 g/mol
LogP0.91
Rot. Bonds1

About 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine

2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine (PubChem CID 135556134) has the molecular formula C8H12BNO and a molecular weight of 149.00 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine
PubChem CID135556134
Molecular FormulaC8H12BNO
Molecular Weight149.00 g/mol
Exact Mass149.10
IUPAC Name2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine
SMILESCC1COB(C2=CCC=C2)N1
InChIInChI=1S/C8H12BNO/c1-7-6-11-9(10-7)8-4-2-3-5-8/h2,4-5,7,10H,3,6H2,1H3
InChIKeyVTUBYWRCZSYVDR-UHFFFAOYSA-N
XLogP0.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.00
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,9aS)-2-cyclopenta-1,4-dien-1-yl-3a,4,9,9a-tetrahydrobenzo[f][1,3,2]benzodioxaborole
CID 135556148
14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane
CID 135556141
2-cyclopenta-2,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine;cyclopentane;iron
CID 16685926
1,5-dimethyl-8H-benzo[7]annulene
CID 142219384
2-methyl-1,2,3,6-tetrahydrocyclohepta[d]imidazole
CID 143106785
5-methyl-8H-benzo[7]annulene
CID 142246381
2-ethylsulfanylcyclopenta-1,3-diene
CID 22555381
cyclopenta-1,4-dien-1-yl(methyl)silane
CID 123753309
cyclopenta-1,4-dien-1-yl-dimethyl-prop-2-enylsilane
CID 140820783
1,7-dihydroquinoxaline;ethane
CID 142336197
CID 173141588
CID 173141588
3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 75480508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine (CID 135556134) is 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine is CC1COB(C2=CCC=C2)N1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine?
The InChIKey is VTUBYWRCZSYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO/c1-7-6-11-9(10-7)8-4-2-3-5-8/h2,4-5,7,10H,3,6H2,1H3.
What are the key properties of 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine?
2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine has a molecular weight of 149.00 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine is sourced from PubChem (CID 135556134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).